TCMBANKIN000481 |
Hexyl acetate |
142-92-7; BRN 1747138; ZINC01683479; 45900_FLUKA; Hexyl alcohol, acetate; Hexyl ethanoate; 461245_ALDRICH; W256528_ALDRICH; Hexyl acetate (natural); 108154_ALDRICH; 88230-35-7; 1-Hexyl acetate; n-Hexyl ethanoate; n-Hexyl acetate; EINECS 205-572-7; l-Hexyl acetate; Hexylester kyseliny octove [Czech]; Capryl acetate; C8634_SIGMA; 25539_FLUKA; Acetic acid, hexyl esters mixture; Acetic acid, hexyl ester; HSDB 5641; 4-02-00-00159 (Beilstein Handbook Reference); hexyl acetate; WLN: 6OV1; Hexanol, acetate, branched and linear; NSC 7323; AI3-28569; acetic acid hexyl ester; W256501_ALDRICH; NSC7323; FEMA No. 2565 |
C8H16O2 |
144.21 g/mol |
CCCCCCOC(=O)C |
TCMBANKIN000588 |
2,2-Dicyclohexylmalononitrile |
|
C15H22N2 |
230.35 g/mol |
C1CCC(CC1)C(C#N)(C#N)C2CCCCC2 |
TCMBANKIN003781 |
santenone alcohol |
AC1NT07F; 4,7-dimethylbicyclo[2.2.1]heptan-3-ol |
|
|
CC1C2CCC1(C(C2)O)C |
TCMBANKIN004079 |
1-Cyclohexyl-3-ethoxy-2-butanone |
|
C12H22O2 |
198.3 g/mol |
CCOC(C)C(=O)CC1CCCCC1 |
TCMBANKIN004278 |
2-Nitroethanol |
|
C2H5NO3 |
91.07 g/mol |
C(CO)[N+](=O)[O-] |
TCMBANKIN004530 |
Gyclohexyl methacrylate |
|
C10H16O2 |
|
CC(=C)C(=O)OC1CCCCC1 |
TCMBANKIN004990 |
2-ethoxyjuglon |
|
|
|
|
TCMBANKIN005306 |
2-Hexanoylfuran |
2-hexanoylfuran; 1-(2-furyl)hexan-1-one; 1-Hexanone, 1-(2-furyl)-; 14360-50-0; 1-(2-Furanyl)-1-hexanone; FR-1262; FEMA No. 3418; Pentyl 2-furyl ketone; NSC27361; SBB008342; NSC 27361; 1-(2-Furyl)-1-hexanone; AI3-26556; 1-Hexanone, 1-(2-furanyl)-; EINECS 238-333-0; InChI=1/C10H14O2/c1-2-3-4-6-9(11)10-7-5-8-12-10/h5,7-8H,2-4,6H2,1H; 1-furan-2-ylhexan-1-one; 2-Furyl pentyl ketone; 2-Furyl n-pentyl ketone; 1-(2-Furyl)hexanone |
C10H14O2 |
166.22 |
CCCCCC(=O)C1=CC=CO1 |
TCMBANKIN005862 |
Tetradecamethylcycloheptasiloxane |
|
C14H42O7Si7 |
519.07 g/mol |
C[Si]1(O[Si](O[Si](O[Si](O[Si](O[Si](O[Si](O1)(C)C)(C)C)(C)C)(C)C)(C)C)(C)C)C |
TCMBANKIN006963 |
cis-3-hexenyl valerate |
cis-3-Hexenylvalerate |
C11H20O2 |
184.27 g/mol |
CCCCC(=O)OCCC=CCC |
TCMBANKIN008661 |
HEXATRIACONTANE |
630-06-8; Hexatriacontane; 442680_SUPELCO; AI3-52389; NSC407536; EINECS 211-127-8; 2040-92-8; n-Hexatriacontane; H12552_ALDRICH; 52920_FLUKA; 52919_FLUKA; NSC 407536 |
C36H74 |
506.97 |
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC |
TCMBANKIN009264 |
angolensin |
|
C16H16O4 |
272.29 g/mol |
CC(C1=CC=C(C=C1)OC)C(=O)C2=C(C=C(C=C2)O)O |
TCMBANKIN009495 |
santene |
(1R,4S)-2,3-Dimethylbicyclo[2.2.1]hept-2-ene |
C9H14 |
122.21 g/mol |
CC1=C(C2CCC1C2)C |
TCMBANKIN011212 |
Cyclohexyl formate |
|
C7H12O2 |
128.17 g/mol |
C1CCC(CC1)OC=O |
TCMBANKIN011331 |
2-ISOPROPYL-1,3-DIOXOLANE |
InChI=1/C6H12O2/c1-5(2)6-7-3-4-8-6/h5-6H,3-4H2,1-2H; 2-propan-2-yl-1,3-dioxolane; 1,3-Dioxolane, 2-isopropyl-; 822-83-3; ZINC01871729; NSC139442; 1,3-Dioxolane, 2-(1-methylethyl)- |
C6H12O2 |
116.16 |
CC(C)C1OCCO1 |
TCMBANKIN012573 |
Pterocarpol |
pterocarpol |
C15H26O2 |
238.37 g/mol |
CC12CCC(CC1C(=C)CC(C2)O)C(C)(C)O |
TCMBANKIN014647 |
2-ethyl-3-hydroxyhexyl butyrate |
|
C12H24O3 |
216.32 |
CCCC(C(CC)COC(=O)CCC)O |
TCMBANKIN014871 |
2,4-dimethyl-4-octanol |
|
C10H22O |
158.28 g/mol |
CCCCC(C)(CC(C)C)O |
TCMBANKIN015482 |
Triethylene glycol monomethyl ether acetate |
|
C9H18O5 |
206.24 g/mol |
CC(=O)OCCOCCOCCOC |
TCMBANKIN015590 |
trans- p- mentha- 2,8- dienol |
trans-p-mentha-2,8-dienol |
C10H16O |
152.23 g/mol |
CC1CCC(C(=C1)O)C(=C)C |
TCMBANKIN016117 |
santalicacid |
santalic acid |
|
|
CC(=CCCC1(C2CC3C1(C3C2)C)C)C(=O)O |
TCMBANKIN019497 |
4-methyl-1,4-Heptadiene |
|
C8H14 |
110.2 g/mol |
CCC=C(C)CC=C |
TCMBANKIN020151 |
l-homoserine |
KB-211151; TC-152476; DTXSID00659274; (R)-3-AMINO-4-HYDROXYBUTYRIC ACID HYDROCHLORIDE; I04-1166; 123053-31-6; L-Homoserine--hydrogen chloride (1/1); FT-0605337; l-beta-homoserine hcl; H72H151; (s)-homoserinehcl; l-beta-homoserine hydrochloride; (S)-2-Amino-4-hydroxybutanoic acid hydrochloride; CTK8B9962; ANW-63731; AKOS015892796; BG00903522; PubChem11050; AK-72527; h-beta-homoser-oh hcl; (S)-Homoserine hydrochloride; h-ser-(c*ch2)oh 2cl; A-8355; L-Homoserine hydrochloride; AX8220589 |
C4H10ClNO3 |
155.58 g/mol |
C(CO)C(C(=O)O)N.Cl |
TCMBANKIN021206 |
1-Ethoxy-1-propoxyethane |
|
C7H16O2 |
132.2 g/mol |
CCCOC(C)OCC |
TCMBANKIN022193 |
Ethyl 2-(1-ethoxyethoxy)propancate |
|
|
|
|
TCMBANKIN022774 |
4-ethoxy-3-methoxybenzoicacid |
|
C10H12O4 |
196.2 g/mol |
CCOC1=C(C=C(C=C1)C(=O)O)OC |
TCMBANKIN023140 |
3-(1-Ethoxyethoxy)-2-methylbutane-1,4-diol |
|
|
|
|
TCMBANKIN027445 |
Sulfurous acid,butyl tridecyl ester |
|
C17H36O3S |
320.5 g/mol |
CCCCCCCCCCCCCOS(=O)OCCCC |
TCMBANKIN028035 |
pterolactam |
|
C5H9NO2 |
115.13 g/mol |
COC1CCC(=O)N1 |
TCMBANKIN028758 |
Ethenyloxybenzene |
|
C19H14F6O2 |
|
C=COC1=CC=C(C=C1)C(C2=CC=C(C=C2)OC=C)(C(F)(F)F)C(F)(F)F |
TCMBANKIN028890 |
2-ethyl-1,3-dithiane |
1,3-Dithiane, 2-ethyl; 1,3-dithiane, 2-ethyl-; 2-Ethyl[1,3]dithiane; InChI=1/C6H12S2/c1-2-6-7-4-3-5-8-6/h6H,2-5H2,1H |
C6H12S2 |
148.29 |
CCC1SCCCS1 |
TCMBANKIN029626 |
2-ethoxy-6-(methoxymethyl)phenol |
Methyl-(2-hydoxy-3-ethoxy-benzyl)ether |
C10H14O3 |
182.22 g/mol |
CCOC1=CC=CC(=C1O)COC |
TCMBANKIN031102 |
HEXYL BUTYRATE |
EINECS 220-136-6; Hexyl butanoate; Butanoic acid, hexyl ester; AI3-33290; butyric acid hexyl ester; n-Hexyl butanoate; FEMA No. 2568; n-Hexyl butyrate; BRN 1754469; 1-Hexyl butyrate; n-Hexyl n-butanoate; Butyric acid, hexyl ester; butanoic acid hexyl ester; Hexyl butyrate; W256811_ALDRICH; Hexyl butyrate (natural); 2639-63-6; W256803_ALDRICH |
C10H20O2 |
172.26 |
CCCCCCOC(=O)CCC |
TCMBANKIN032613 |
Dodecamethylcyclohexasiloxane |
|
C12H36O6Si6 |
444.92 g/mol |
C[Si]1(O[Si](O[Si](O[Si](O[Si](O[Si](O1)(C)C)(C)C)(C)C)(C)C)(C)C)C |
TCMBANKIN033009 |
2'-methoxymollugin |
|
C18H20O5 |
|
|
TCMBANKIN033417 |
Decamethylcyclopentasiloxane |
|
C10H30O5Si5 |
370.77 g/mol |
C[Si]1(O[Si](O[Si](O[Si](O[Si](O1)(C)C)(C)C)(C)C)(C)C)C |
TCMBANKIN033671 |
3-Methoxypropyl acetate |
|
C6H12O3 |
132.16 g/mol |
CC(=O)OCCCOC |
TCMBANKIN033903 |
cis-3-Hexenyl butyrate |
3-Hexenyl butanoate, cis-; cis-Butyric acid, 3-hexenyl ester; cis-3-Hexen-1-yl butyrate; 3-Hexenyl butyrate, cis-; butanoic acid [(Z)-hex-3-enyl] ester; AI3-33202; 3-Hexenyl butanoate, (Z)-; W340200_ALDRICH; Butyric acid, 3-hexenyl ester, (Z)-; 3-Hexenyl butyrate, (Z)-; Butanoic acid, 3-hexenyl ester, (Z)-; [(Z)-hex-3-enyl] butanoate; (Z)-3-hexenyl butyrate; cis-3-Hexenyl butyrate (natural); butyric acid [(Z)-hex-3-enyl] ester; (Z)-Hex-3-enyl butyrate; Butanoic acid, (3Z)-3-hexenyl ester; beta,gamma-Hexenyl butyrate; 16491-36-4; EINECS 240-553-7; FEMA No. 3402 |
C10H18O2 |
170.25 |
CCCC(=O)OCCC=CCC |
TCMBANKIN033907 |
1-methoxy-2-propyl acetate |
|
C6H12O3 |
132.16 g/mol |
CC(COC)OC(=O)C |
TCMBANKIN034089 |
1,3-Dioxan-5-ol |
|
C4H8O3 |
104.1 g/mol |
C1C(COCO1)O |
TCMBANKIN034754 |
2,4,5-Trimethyl-1,3-dioxolane |
|
C6H12O2 |
116.16 g/mol |
CC1C(OC(O1)C)C |
TCMBANKIN034981 |
1-Butoxypentane |
|
C9H20O |
144.25 g/mol |
CCCCCOCCCC |
TCMBANKIN036176 |
1-(4-Ethoxy-2hydroxyphenyl)-1-octadecanone |
|
C26H44O3 |
404.6 g/mol |
CCCCCCCCCCCCCCCCCC(=O)C1=C(C=C(C=C1)OCC)O |
TCMBANKIN036420 |
santenone |
4,7-dimethylbicyclo[2.2.1]heptan-3-one; 2-cyclopropyl-6-isopropylphenyl methoxymethyl ether; 7492-82-2; 20529-87-7; 1,7-dimethylbicyclo[2.2.1]heptan-2-one; AC1NT07C |
C9H14O |
138.21 |
CC1C2CCC1(C(=O)C2)C |
TCMBANKIN036582 |
2,3-Dutanediol |
|
|
|
|
TCMBANKIN036797 |
Pterostilbene |
4-[2-(3,5-dimethoxyphenyl)vinyl]phenol; 3,5-dimethoxy-4'-hydroxystilbene; 4-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]phenol; Phenol, 4-(2-(3,5-dimethoxyphenyl)ethenyl)-, (E)-; trans-3,5-Dimethoxy-4′-hydroxystilbene; C10287; 3,5-Dimethoxy-4'-hydroxy-trans-stilbene; Pterocarpus marsupium; 537-42-8; Pterostilbene, <i>Pterocarpus marsupium; pterostilbene ; ACon1_000305; 4-[2-(3,5-dimethoxyphenyl)ethenyl]phenol; 4-[(E)-2-(3,5-dimethoxyphenyl)vinyl]phenol; MLS000863581; 3',5'-Dimethoxy-4-stilbenol; 4-[(1E)-2-(3,5-Dimethoxyphenyl)ethenyl]phenol; MEGxp0_000345; NSC613735; 4-(2-(3,5-Dimethoxyphenyl)ethenyl)phenol; SMR000440694; 3,5-Dimethoxy-4′-hydroxystilbene; P1499_SIGMA; MLS000759434; pterostilbene; 4-Stilbenol, 3',5'-dimethoxy-, (E)- |
C16H16O3 |
256.3 |
COC1=CC(=CC(=C1)C=CC2=CC=C(C=C2)O)OC |
TCMBANKIN036981 |
2-methoxy-2-(4'-hydroxyphenyl)ethanol |
|
C9H12O3 |
168.19 g/mol |
COC(CO)C1=CC=C(C=C1)O |
TCMBANKIN038032 |
formononetin |
Oprea1_815287; AIDS027672; 7-hydroxy-3-(4-methoxyphenyl)-4H-benzopyran-4-one; Isoflavone, 7-hydroxy-4'-methoxy- (8CI); NCI60_042081; NCGC00095207-03; Oprea1_139748; NCIOpen2_005983; SDCCGMLS-0066428.P001; CHEBI:18088; TNP00176; 485-72-3; Formononetol; Isoflavone, 7-hydroxy-4'-methoxy-; 7-hydroxy-3-(4-methoxyphenyl)chromone; Spectrum2_000560; Formononetin; NSC 93360; EINECS 207-623-9; 47752_FLUKA; KBio2_000853; 7-Hydroxy-3-(4-methoxyphenyl)-4-benzopyrone; Spectrum5_000258; KBio3_001519; NSC93360; KBioSS_000853; Spectrum_000373; SPECTRUM102007; KBio2_005989; Biochanin B; KBioGR_001878; NCGC00017269-01; 7-Hydroxy-3-(4′-methoxyphenyl)-4H-benzopyran-4-one; formononetin ; 7-hydroxy-4'-methoxy-isoflavone; BSPBio_002299; ZINC00113304; 4H-1-Benzopyran-4-one, 7-hydroxy-3-(4-methoxyphenyl)- (9CI); SBB016445; Spectrum3_000660; 7-hydroxy-3-(4-methoxyphenyl)-4H-chromen-4-one; Spectrum4_001429; DivK1c_006319; KBio2_003421; SPBio_000639; NCGC00095207-01; KBio1_001263; AIDS-027672; 7-Hydroxy-4'-methoxyisoflavone; C00858; 4H-1-Benzopyran-4-one, 7-hydroxy-3-(4-methoxyphenyl)-; NCGC00095207-02; SpecPlus_000223 |
C16H12O4 |
268.264 |
C1([H])=C(c2c([H])c([H])c(OC([H])([H])[H])c([H])c2[H])C(c3c(O1)c([H])c(O[H])c([H])c3[H])=O |
TCMBANKIN038399 |
α-Santalene |
ZINC64634147; alpha-santalene ; ZINC100506743; (+)-alpha-santalene; alpha-santalene; (1S,2R,4S,6R,7R)-1,7-dimethyl-7-(4-methylpent-3-en-1-yl)tricyclo[2.2.1.0(2,6)]heptane; KWFJIXPIFLVMPM-PEGGXJLSSA-N; CHEBI:61677; (2R,6S,7R)-1,7-DIMETHYL-7-(4-METHYLPENT-3-EN-1-YL)TRICYCLO[2.2.1.0(2),?]HEPTANE |
|
204.35 |
|
TCMBANKIN038989 |
β-santalene |
BETA-SANTALENE; (-)-beta-Santalene; CHEBI:10440; (1S-exo)-2-methyl-3-methylene-2-(4-methyl-3-pentenyl)bicyclo[2.2.1]heptane; (-)-ss-Santalen; beta-santalene; C09718; 511-59-1; PGBNIHXXFQBCPU-ILXRZTDVSA-N; (1S,2R,4R)-2-methyl-3-methylidene-2-(4-methylpent-3-en-1-yl)bicyclo[2.2.1]heptane |
C15H24 |
204.35 g/mol |
CC(=CCCC1(C2CCC(C2)C1=C)C)C |
TCMBANKIN042159 |
pteryxin |
STOCK1N-52523; C09307; AIDS006515; [(9R,10R)-9-acetyloxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[6,5-h]chromen-10-yl] (Z)-2-methylbut-2-enoate; [(9R,10R)-9-acetoxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[6,5-h]chromen-10-yl] (Z)-2-methylbut-2-enoate; (Z)-2-methylbut-2-enoic acid [(9R,10R)-9-acetoxy-2-keto-8,8-dimethyl-9,10-dihydropyrano[6,5-h]chromen-10-yl] ester; ZINC04081606; 13161-75-6; 17944-23-9; (Z)-2-methylbut-2-enoic acid [(9R,10R)-9-acetoxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[6,5-h]chromen-10-yl] ester; AIDS-006515; pteryxin; 2-Butenoic acid, 2-methyl-, 9-(acetyloxy)-9,10-dihydro-8,8-dimethyl-2-oxo-2H,8H-benzo(1,2-b:3- ,4-b')dipyran-10-yl ester, (9R-(9alpha,10alpha(Z)))-; 2-Butenoic acid, 2-methyl-, 9-(acetyloxy)-9,10-dihydro-8,8-dimethyl-2-oxo-2H,8H-benzo(1,2-b:3,4-b')dipyran-10-yl ester, (9R-(9alpha,10alpha(Z)))- |
C21H22O7 |
386.395 |
c12c(OC(C([H])([H])[H])(C([H])([H])[H])[C@@]([H])(OC(C([H])([H])[H])=O)[C@]1([H])OC(\C(=C(/C([H])([H])[H])[H])\C([H])([H])[H])=O)c([H])c([H])c3c2OC(=O)C([H])=C3[H] |
TCMBANKIN049148 |
beta-ionone |
(E)-4-(2,6,6-trimethyl-1-cyclohexenyl)but-3-en-2-one; (Z)-4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-3-buten-2-one; BB_NC-0321; 4-(2,6,6-Trimethylcyclohex-1-ene-1-yl)-but-3-ene-2-one; NSC 402758; beta-Cyclocitrylideneacetone; SCHEMBL813343; AIDS-032326; AIDS032326; EINECS 238-969-9; 4-(2,6,6-trimethyl-1-cyclohexenyl)but-3-en-2-one; .beta.-Cyclocitrylideneacetone; 4-(2,6,6-Trimethyl-1-cyclohexenyl)-3-buten-2-one; W259500_ALDRICH; 4-(2,6,6-Trimethyl-1-cyclohexen-l-yl)-3-buten-2-one; NSC46137; WLN: L6UTJ A1U1V1 B1 F1 F1; e-4-(2,6,6-trimethyl-cyclohexyl)-but-3-en-2-one; LS-871; EINECS 252-325-4; YJRODKCOICMRBO-BQYQJAHWSA-N; LS-47337; 35031-06-2; ST5306954; trans-.beta.-Ionone; 3-Buten-2-one, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (E); IONONE, BETA; EINECS 252-912-5; β- Ionone; 58180_FLUKA; (3E)-4-(2,6,6-trimethylcyclohex-1-en-1-yl)but-3-en-2-one; 4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-3-buten-2-one; .beta.-Ionone isomer # 1; C12287; NSC402758; (3E)-4-(2,2,6-TRIMETHYLCYCLOHEXYL)BUT-3-EN-2-ONE; 14901-07-6; 4-(2,6,6-Trimethyl-2(1)-cyclohexen-1-yl)-3-buten-2-one; .beta.-Ionone isomer # 2; SCHEMBL813341; Dihydroionone; ZINC03881456; AC1O5BV0; Ionone, .beta.-; 3-Buten-2-one, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (3E)-; CCRIS 6249; (E)-4-(2,2,6-trimethylcyclohexyl)but-3-en-2-one; 3-Buten-2-one, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (E)-; I12603_ALDRICH; InChI=1/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h7-8H,5-6,9H2,1-4H3/b8-7; β-ionone; W259519_ALDRICH; .beta.-Ionone; beta-Ionone; 79-77-6; 3-Buten-2-one, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-; .beta.-Ionene; 4-(2,2,6-Trimethylcyclohexyl)-3-buten-2-one; 36208-32-9 |
C13H20O |
192.297 |
C1([H])([H])C(C([H])([H])[H])(C([H])([H])[H])C(\C([H])=C([H])\C(=O)C([H])([H])[H])=C(C([H])([H])[H])C([H])([H])C1([H])[H] |
TCMBANKIN058328 |
benzyl cyanide;WLN: NC1R; |
benzylcyanide; Acetic acid, phenyl-nitrile; CAS-140-29-4; ST51017243; NSC118418; Benzylkyanid [Czech]; Toluene, .alpha.-cyano-; .alpha.-Cyanotoluene; 140-29-4; AI3-04975; BnCN; ACMC-1C0PN; DTXSID2021492; .alpha.-Tolunitrile; KSC175C3P; AKOS000118943; alpha-Cyanotoluene; MCULE-3500109780; UN 2470; phenylacetonitile; benzene-acetonitrile; Phenylacetonitrile, liquid [UN2470] [Poison]; Toluene, alpha -cyano-; CTK0H5137; Z57131036; Benzeneacetonitrile; AN-23174; EC 205-410-5; C8H7N; P0128; CHEMBL3560735; Phenyl acetyl nitrile; 2-phenylethanenitrile; Tox21_200217; 2-phenyl-acetonitrile; AS01366; UNII-23G40PRP93; EINECS 205-410-5; alpha -cyano-; Benzylkyanid; LABOTEST-BB LT00891699; WLN: NC1R; KB-47802; NSC 118418; NCGC00090854-01; Benzyl cyanide, 98%; UN2470; 23G40PRP93; DEA Code 8735; NCGC00257771-01; Toluene, alpha-cyano-; PubChem20468; 56620-16-7; benzene acetonitrile; .omega.-Cyanotoluene; DSSTox_CID_1492; BENZYL CYANIDE; LS-817; AC1L1RPP; OTAVA-BB 1519434; Phenylacetonitrile, liquid [UN2470] [Poison]; Acetonitrile, phenyl-; 2-Phenylacetonitrile; HSDB 2103; alpha -tolunitrile; DB-004016; KS-000000HS; Benzylnitrile; benzyl-cyanide; J-519675; Phenylacetonitrile, liquid; omega-Cyanotoluene; NSC3407; Phenylacetonitrile; Benzyl nitrile; C16074; phenylacteonitrile; AC1Q4S1D; USAF KF-21; A-TOLUNITRILE; SUSQOBVLVYHIEX-UHFFFAOYSA-N; Benzyl cyanide, >=99%; A807640; TRA0004632; SBB058386; RTC-061401; Phenacetonitrile; cyano(phenyl)methyl; CHEBI:25979; alpha-Cyano-Toluene; SC-26879; FT-0657342; Benzeneacetonitrile, 9CI; NSC-3407; S01-0547; ZINC1666748; Phenyl-acetonitrile; enzylcyanide; Benzyl cyanide, analytical standard; ANW-20559; DSSTox_RID_76184; alpha-phenylacetonitrile; CJ-26987; MFCD00001894; NSC-118418; laquo Omegaraquo -cyanotoluene; InChI=1/C8H7N/c9-7-6-8-4-2-1-3-5-8/h1-5H,6H; Cyanophenylmethane; SCHEMBL37831; F0001-0481; CCRIS 4698; DSSTox_GSID_21492; alpha -cyanotoluene; NCGC00090854-02; alpha-Tolunitrile; RP19286; (Cyanomethyl)benzene; MolPort-001-768-890;Acetic acid, phenyl-nitrile; Benzeneacetonitrile; omega-cyanotoluene; Toluene, alpha-cyano-; Usaf kf-21; NSC118418; 185728_ALDRICH; Benzylkyanid [Czech]; CHEBI:25979; 13300_FLUKA; .omega.-Cyanotoluene; Phenyl acetyl nitrile; Toluene, .alpha.-cyano-; c0647; Phenyl-acetonitrile; .alpha.-Cyanotoluene; 140-29-4; AI3-04975; Acetonitrile, phenyl-; 2-Phenylacetonitrile; EINECS 205-410-5; HSDB 2103; .alpha.-Tolunitrile; B19401_ALDRICH; alpha-Cyanotoluene; Benzylnitrile; InChI=1/C8H7N/c9-7-6-8-4-2-1-3-5-8/h1-5H,6H; Phenylacetonitrile, liquid; CCRIS 4698; Benzyl cyanide; NSC3407; Phenylacetonitrile; Benzyl nitrile; NSC 118418; Phenylacetonitrile, liquid [UN2470] [Poison]; alpha-Tolunitrile; ZINC01666748; C16074; NCGC00090854-01; UN2470; (Cyanomethyl)benzene;phenylacetonitrile;Benzyl nitrile |
C8H7N |
117.15 g/mol |
C1=CC=C(C=C1)CC#N |
TCMBANKIN058334 |
benzene acetaldehyde |
benzeneacetaldehyde; HY1; c0210; alpha-Tolyaldehyde; 1-Oxo-2-phenylethane; 107395_ALDRICH; Acetaldehyde,phenyl- (8CI); ZINC00895323; Phenylacetic aldehyde; alpha-Tolualdehyde; NSC406309; alpha-Toluic aldehyde; 2-phenylacetaldehyde; NSC 406309; CHEBI:16424; FEMA No. 2974; 122-78-1; Phenylacetaldehyde solution; .alpha.-Tolualdehyde; W287407_ALDRICH; PHENYLACETALDEHYDE; W287415_ALDRICH; Benzylcarboxaldehyde; .alpha.-Toluic aldehyde; hyacinthin; Acetaldehyde,phenyl-; Phenylethanal; InChI=1/C8H8O/c9-7-6-8-4-2-1-3-5-8/h1-5,7H,6H; NCIOpen2_003602; AI3-02175; 77800_FLUKA; Phenylacetaldehyde (natural); 2-Phenylethanal; Oxophenylethane; Benzeneacetaldehyde; EINECS 204-574-5; C00601; phenylacetaldehyde; Hyacinthin |
C8H8O |
120.15 g/mol |
C1=CC=C(C=C1)CC=O |
TCMBANKIN058892 |
alpha-santalol |
Santalol, cis,α-;alpha.-Santalol;2-Penten-1-ol, 5-(2,3-dimethyltricyclo(2.2.1.02,6)hept-3-yl)-2-methyl-, stereoisomer; SCHEMBL14363250; 2-Penten-1-ol, 5-(2,3-dimethyltricyclo(2.2.1.0(2,6))hept-3-yl)-2-m; EINECS 204-102-8; 5-(2,3-Dimethyltricyclo(2.2.1.0(2,6))hept-3-yl)-2-methyl-2-penten-1-ol; α-Santalol; LS-102120; Cis-a-Santalol; 2-Penten-1-ol, 5-(2,3-dimethyltricyclo(2.2.1.0(sup 2,6))hept-3-yl)-2-methyl-, (R(Z))-; Argeol; 5-(2,3-Dimethyltricyclo(2.2.1.02,6)hept-3-yl)-2-methyl-2-penten-1-ol stereoisomer; Santalol, alpha-; α-santalol; Arheol; d-alpha-Santalol; cis-alpha-Santalol; ALPHA-SANTALOL; 5-(2,3-Dimethyltricyclo(2.2.1.02,6)hept-3-yl)-2-methylpent-2-en-1-ol, stereoisomer; 2-Penten-1-ol, 5-(2,3-dimethyltricyclo(2.2.1.0(sup 2,6))hept-3-yl)-2-methyl; HSDB 3421; (Z)-alpha-Santalol |
C15H24O |
220.35 |
CC(=CCCC1(C2CC3C1(C3C2)C)C)CO |
TCMBANKIN058894 |
santalol |
α-santalol; (Z)-2-methyl-5-[(1S, 2R, 4R)-2-methyl-3-methylene-2-norbornanyl]pent-2-en-1-ol; (Z)-2-methyl-5-[(1S, 4R, 6R)-6-methyl-5-methylidene-6-bicyclo[2.2.1]heptanyl]pent-2-en-1-ol; (2Z)-2-methyl-5-[(1S, 2R, 4R)-2-methyl-3-methylidenebicyclo[2.2.1]hept-2-yl]pent-2-en-1-ol; (Z)-2-methyl-5-[(1S, 2R, 4R)-2-methyl-3-methylene-norbornan-2-yl]pent-2-en-1-ol; CHEBI:10441; (Z)-beta-santalol; 2-Penten-1-ol, 2-methyl-5-(2-methyl-3-methylene-2-norbornyl)-; beta-Santalenol; 37172-31-9; (1S-(1alpha, 2alpha(Z), 4alpha))-2-Methyl-5-(2-methyl-3-methylenebicyclo(2.2.1)hept-2-yl)-2-penten-1-ol; beta-santalol; CHEBI:10441; cis-beta-santalol; Santalol, beta-; 2-Penten-1-ol, 2-methyl-5-(2-methyl-3-methylenebicyclo(2.2.1)hept-2-yl)-, (1S-(1alpha, 2alpha(Z), 4alpha))-; UNII-1DGG9VW8SA |
C15H24O |
220.35 g/mol |
CC(=CCCC1(C2CCC(C2)C1=C)C)CO |
TCMBANKIN058899 |
Perillen |
Furan, 3-(4-methyl-3-pentenyl)-; 3-(4-methylpent-3-enyl)furan; 3-(4-Methyl-3-pentenyl)furan; Perillene; 539-52-6; perillene |
C10H14O |
150.22 g/mol |
CC(=CCCC1=COC=C1)C |
TCMBANKIN058933 |
3-Acetylanisole |
NCIOpen2_000067; Ethanone, 1-(3-methoxyphenyl)- (9CI); Acetophenone, m-methoxy-; 64701_FLUKA; 586-37-8; ST5213410; M9408_ALDRICH; NSC 65593; 1-(3-METHOXYPHENYL)ETHANONE; AI3-26011; Acetophenone, 3'-methoxy-; Ethanone, 1-(3-methoxyphenyl)-; 3'-Methoxyacetophenone; m-Methoxyacetophenone; NSC65593; ZINC01692471; 3-Methoxyacetophenone; 3′-Methoxyacetophenone; Acetophenone, 3'-methoxy- (8CI); EINECS 209-573-3; 3-Methoxyacetophenone; 1-(3- methoxyphenyl)- Ethanone |
C9H10O2 |
150.17 g/mol |
CC(=O)C1=CC(=CC=C1)OC |
TCMBANKIN059253 |
Hexahydro-farnesyl acetone |
hexahydro-farnesylacetone; 6,10,14-trimethyl-2-pentadecanone; 6, 10, 14-trimethyl-2-pentadecanone; (6S,10S)-6,10,14-trimethylpentadecan-2-one; 2-pentadecanone,6,10,14-trimethyl-; phytone; 6,10,14-TRIMETHYL-2-PENTADECANONE; hexahydro-farnesyl-acetone; 6,10,14-trimethyl-pentadecan-2-one; C-25231; MFCD00065420; ST049442; 13955-74-3; 2-pentadecanone, 6,10,14-trimethyl; 502-69-2; MCULE-5164481361; AC1Q5H6P; PHYTONE; 6,10,14-Trimethylpentadeca-2-one; 6,10,14-trimethyl pentadecan-2-one; STK761211; OR13502; AN-21434; CTK4J2356; MolPort-001-758-493; (R,R)-Phytone; ZX-AT021772; 2-Pentadecanone,6,10,14-trimethyl-; Hexahydrofarnesyl acetone; 6,10,14-trimethyl-2-pentadecanon; Fitone; AKOS016347358; Hexahydrofarnezylacetone; SBB012620; ZERO/001268; CC-29299; Hexahydrofarnesylacetone; 36116P; 2-Pentadecanone, 6,10,14-trimethyl-; 6,10,14-trimethyl-pentadecane-2-one; W-109084; SCHEMBL716506; Phytol ketone; AKOS001727037; SR-01000526355-1; FT-0632240; SR-01000526355; KB-85744; 6,10,14-Trimethylpentadecan-2-one; hexahydrofarnesylacetone; WHWDWIHXSPCOKZ-UHFFFAOYSA-N; EINECS 207-950-7; AC1L1V4Z; hexahydrofarnesylacetone; 6,10,14-trimethyl-2-pentadecanone; 6,10,14-trimethyl-2-Pentadeeanone; hexahydrofarnesyl acetone; 6,10,14-Trimethylpentadecan-2-one; 2-Pentadecanone, 6,10,14-trimethy-; 6, 10, 14- trimethyl- 2- pentadecanone; (6R,10R)-6,10,14-trimethylpentadecan-2-one; ZINC02169908; 6,10,14-trimethylpentadecan-2-one; 2-pentadecanone,6,10,14-trimethyl; Phytone; hexahydrofarnesyl acetone; perhydrofarnesyl acetone; FITONE |
C18H36O |
268.5 g/mol |
CC(C)CCCC(C)CCCC(C)CCCC(=O)C |
TCMBANKIN059515 |
α-teresantalicacid |
|
|
166.22 g/mol |
CC1(C2CC3C1(C3C2)C)C(=O)O |
TCMBANKIN059827 |
phenol,2,6-bis(1,1-dimethylethyl)-4-methyl |
|
C15H24O |
220.35 g/mol |
CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C |
TCMBANKIN060015 |
9-epi-(E)-caryophyllene |
|
C15H24 |
204.35 g/mol |
CC1=CCCC(=C)C2CC(C2CC1)(C)C |
TCMBANKIN060028 |
α-ionone |
|
C13H20O |
192.3 g/mol |
CC1=CCCC(C1C=CC(=O)C)(C)C |
TCMBANKIN060587 |
Epicedrol |
|
C15H26O |
222.37 g/mol |
CC1CCC2C13CCC(C(C3)C2(C)C)(C)O |
TCMBANKIN060716 |
β-hexenol |
|
C6H12O |
100.16 g/mol |
CCC=CCCO |
TCMBANKIN060718 |
cis-3-hexenyl benzoate |
|
C13H16O2 |
204.26 g/mol |
CCC=CCCOC(=O)C1=CC=CC=C1 |
TCMBANKIN060770 |
ethyl butyrate;Butyric ether |
|
C6H12O2 |
116.16 |
CCCC(=O)OCC |
TCMBANKIN060848 |
cis-3-Hexenyl hexanoate |
|
C12H22O2 |
198.3 g/mol |
CCCCCC(=O)OCCC=CCC |
TCMBANKIN060853 |
CHEBI:39932 |
|
C8H16O |
128.21 |
CCCCCC(C=C)O |
TCMBANKIN061111 |
heneicosane |
|
C21H44 |
296.57 |
CCCCCCCCCCCCCCCCCCCCC |
TCMBANKIN061146 |
TETRACONTANE |
|
C40H82 |
563.08 |
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC |
TCMBANKIN061194 |
1-hexanol |
|
C6H14O |
102.17 g/mol |
CCCCCCO |
TCMBANKIN061264 |
1,1-diethoxy ethane;Acetal |
|
C6H14O2 |
118.17 g/mol |
CCOC(C)OCC |
TCMBANKIN061883 |
3,9-di-O-methylnissolin |
3,9,10-trimethoxypterocarpan |
C18H18O5 |
314.3 g/mol |
COC1=CC2=C(C=C1)C3C(CO2)C4=C(O3)C(=C(C=C4)OC)OC |