For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
(2S,3S,5R)-2-(Benzoyloxy)-5-(1'-methylvinyl)-2-methyl-3-chlorocyclohexan-1-one
SpectraBase Compound ID 3Xd9Obl6QPL
InChI InChI=1S/C17H19ClO3/c1-11(2)13-9-14(18)17(3,15(19)10-13)21-16(20)12-7-5-4-6-8-12/h4-8,13-14H,1,9-10H2,2-3H3/t13-,14-,17+/m0/s1
InChIKey MUVNXXILFXKDKL-GRDNDAEWSA-N
Mol Weight 306.79 g/mol
Molecular Formula C17H19ClO3
Exact Mass 306.102272 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID JCuVi41AEmV
Name (2S,3S,5R)-2-(Benzoyloxy)-5-(1'-methylvinyl)-2-methyl-3-chlorocyclohexan-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H19ClO3
InChI InChI=1S/C17H19ClO3/c1-11(2)13-9-14(18)17(3,15(19)10-13)21-16(20)12-7-5-4-6-8-12/h4-8,13-14H,1,9-10H2,2-3H3/t13-,14-,17+/m0/s1
InChIKey MUVNXXILFXKDKL-GRDNDAEWSA-N
Molecular Weight 306.789 g/mol
SMILES [C@@]1(OC(=O)c2ccccc2)(C(C[C@](C[C@@]1(Cl)[H])(C(=C)C)[H])=O)C
SPLASH splash10-0a4i-2900000000-fe0d46d11b94d6e21cc7
Source of Spectrum SK-24-2212-12
Synonyms 3-(Benzoyloxy)-5-(1'-methylvinyl)-2-methyl-3-chlorocyclohexan-1-one benzoic acid[(1S,2S,4R)-2-chloro-1-methyl-4-(1-methylethenyl)-6-oxocyclohexyl]ester benzoic acid[(1S,2S,4R)-2-chloro-4-isopropenyl-6-keto-1-methyl-cyclohexyl]ester [(1S,2S,4R)-2-chloranyl-1-methyl-6-oxidanylidene-4-prop-1-en-2-yl-cyclohexyl]benzoate [(1S,2S,4R)-2-chloro-1-methyl-6-oxo-4-prop-1-en-2-ylcyclohexyl]benzoate [(1S,2S,4R)-2-chloro-4-isopropenyl-1-methyl-6-oxo-cyclohexyl]benzoate benzoic acid [(1S,2S,4R)-2-chloro-1-methyl-4-(1-methylethenyl)-6-oxocyclohexyl] ester [(1S,2S,4R)-2-chloro-1-methyl-6-oxo-4-prop-1-en-2-ylcyclohexyl] benzoate [(1S,2S,4R)-2-chloro-4-isopropenyl-1-methyl-6-oxo-cyclohexyl] benzoate [(1S,2S,4R)-2-chloranyl-1-methyl-6-oxidanylidene-4-prop-1-en-2-yl-cyclohexyl] benzoate
Wiley ID 866329