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(+)-(2S,6S,9R)-Irol Acetate

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(+)-(2S,6S,9R)-Irol Acetate
SpectraBase Compound ID BVpaxyjuWln
InChI InChI=1S/C16H26O2/c1-11-7-8-12(2)16(5,6)15(11)10-9-13(3)18-14(4)17/h9-10,12-13,15H,1,7-8H2,2-6H3/b10-9+/t12-,13+,15-/m0/s1
InChIKey HNLXPHDVRSCVRJ-GHNWPUKSSA-N
Mol Weight 250.38 g/mol
Molecular Formula C16H26O2
Exact Mass 250.19328 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BjccYhs8m
Name Acetic acid (E)-(R)-1-methyl-3-((1S,3S)-2,2,3-trimethyl-6-methylene-cyclohexyl)-allyl ester
Alternate Name(s) (1R,2E)-1-methyl-3-[(1S,3S)-2,2,3-trimethyl-6-methylenecyclohexyl]-2-propenyl acetate 4-[(3' R)-2',2',3'-Trimethyl-6'-methylidenecyclohexyl]but-3-en-2-ol-acetate Acetic acid[(E,1R)-1-methyl-3-[(1S,3S)-2,2,3-trimethyl-6-methylene-cyclohexyl]allyl]ester Acetic acid[(E,2R)-4-[(1S,3S)-2,2,3-trimethyl-6-methylenecyclohexyl]but-3-en-2-yl]ester [(E,1R)-1-methyl-3-[(1S,3S)-2,2,3-trimethyl-6-methylene-cyclohexyl]allyl]acetate [(E,2R)-4-[(1S,3S)-2,2,3-trimethyl-6-methylidene-cyclohexyl]but-3-en-2-yl]ethanoate [(E,2R)-4-[(1S,3S)-2,2,3-trimethyl-6-methylidenecyclohexyl]but-3-en-2-yl]acetate Acetic acid [(E,2R)-4-[(1S,3S)-2,2,3-trimethyl-6-methylenecyclohexyl]but-3-en-2-yl] ester [(E,2R)-4-[(1S,3S)-2,2,3-trimethyl-6-methylidenecyclohexyl]but-3-en-2-yl] acetate [(E,1R)-1-methyl-3-[(1S,3S)-2,2,3-trimethyl-6-methylene-cyclohexyl]allyl] acetate [(E,2R)-4-[(1S,3S)-2,2,3-trimethyl-6-methylidene-cyclohexyl]but-3-en-2-yl] ethanoate
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Formula C16H26O2
InChI InChI=1S/C16H26O2/c1-11-7-8-12(2)16(5,6)15(11)10-9-13(3)18-14(4)17/h9-10,12-13,15H,1,7-8H2,2-6H3/b10-9+/t12-,13+,15-/m0/s1
InChIKey HNLXPHDVRSCVRJ-GHNWPUKSSA-N
Molecular Weight 250.382 g/mol
SMILES [C@@]1(C([C@@](C)(CCC1=C)[H])(C)C)(\C=C\[C@](OC(=O)C)(C)[H])[H]
SPLASH splash10-05cu-3900000000-8a621ca1f81abf7670da
Source of Spectrum H-84-3661-5
Wiley ID 847899