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Methyl (2SR)-2-(2-Isopropenylbenzyl)-3-[(1RS)-2-oxocyclohexyl]propanoate
SpectraBase Compound ID KZudlxav56C
InChI InChI=1S/C20H26O3/c1-14(2)18-10-6-4-8-15(18)12-17(20(22)23-3)13-16-9-5-7-11-19(16)21/h4,6,8,10,16-17H,1,5,7,9,11-13H2,2-3H3/t16-,17+/m0/s1
InChIKey CIOVVODVTPNDQQ-DLBZAZTESA-N
Mol Weight 314.43 g/mol
Molecular Formula C20H26O3
Exact Mass 314.188195 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JTivRIxvUzQ
Name Methyl (2SR)-2-(2-Isopropenylbenzyl)-3-[(1RS)-2-oxocyclohexyl]propanoate
Alternate Name(s) (S)-methyl 3-((S)-2-oxocyclohexyl)-2-(2-(prop-1-en-2-yl)benzyl)propanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H26O3
InChI InChI=1S/C20H26O3/c1-14(2)18-10-6-4-8-15(18)12-17(20(22)23-3)13-16-9-5-7-11-19(16)21/h4,6,8,10,16-17H,1,5,7,9,11-13H2,2-3H3/t16-,17+/m0/s1
InChIKey CIOVVODVTPNDQQ-DLBZAZTESA-N
Literature Reference DOI 10.1021/ol901183h
Molecular Weight 314.425 g/mol
SMILES c1cc(C[C@](C[C@]2(C(CCCC2)=O)[H])(C(OC)=O)[H])c(cc1)C(C)=C
SPLASH splash10-0a6u-4900000000-5447660aec8ae7fb3c30
Source of Spectrum A1-11-3334/SM8-13b
Wiley ID 1757021