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Methyl (2SR)-2-(2-Isopropenylbenzyl)-3-[(1SR)-2-oxocyclohexyl]propanoate
SpectraBase Compound ID 3WnIBGnAg5c
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-/m1/s1
InChIKey CIOVVODVTPNDQQ-IAGOWNOFSA-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 7NQkJCsGXFu
Name Methyl (2SR)-2-(2-Isopropenylbenzyl)-3-[(1SR)-2-oxocyclohexyl]propanoate
Alternate Name(s) (S)-methyl 3-((R)-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-/m1/s1
InChIKey CIOVVODVTPNDQQ-IAGOWNOFSA-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 splash10-0006-9330000000-c7741e3fb2d26a74291b
Source of Spectrum A1-11-3334/SM8-13a
Wiley ID 1757020