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Cyclopentanecarboxylic acid, 2-[1,1-dimethyl-3-(phenylsulfinyl)-2-propenyl]-5-oxo-, methyl ester, [1.alpha.,2.beta.(E)]-(.+-.)-
SpectraBase Compound ID 1yC39SkgwOU
InChI InChI=1S/C18H22O4S/c1-18(2,11-12-23(21)13-7-5-4-6-8-13)14-9-10-15(19)16(14)17(20)22-3/h4-8,11-12,14,16H,9-10H2,1-3H3/b12-11+/t14-,16+,23?/m0/s1
InChIKey UNLOATOECUAOHT-JCNVSJNOSA-N
Mol Weight 334.43 g/mol
Molecular Formula C18H22O4S
Exact Mass 334.12388 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1C9dXSMD3fg
Name Cyclopentanecarboxylic acid, 2-[1,1-dimethyl-3-(phenylsulfinyl)-2-propenyl]-5-oxo-, methyl ester, [1.alpha.,2.beta.(E)]-(.+-.)-
CAS Registry Number 125278-64-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H22O4S
InChI InChI=1S/C18H22O4S/c1-18(2,11-12-23(21)13-7-5-4-6-8-13)14-9-10-15(19)16(14)17(20)22-3/h4-8,11-12,14,16H,9-10H2,1-3H3/b12-11+/t14-,16+,23?/m0/s1
InChIKey UNLOATOECUAOHT-JCNVSJNOSA-N
Molecular Weight 334.430 g/mol
SMILES [C@@]1([C@@](C(\C=C\S(=O)c2ccccc2)(C)C)(CCC1=O)[H])(C(=O)OC)[H]
SPLASH splash10-004i-0900000000-6a3dbc492c6b62338bf7
Source of Spectrum B-42-1465-7
Synonyms Methyl (1R,2S)-2-[(2E)-1,1-dimethyl-3-(phenylsulfinyl)-2-propenyl]-5-oxocyclopentanecarboxylate [1RS,2RS,2'E,r(S),s(S)]-2-[1',1'-dimethyl-3'-(phenylsulfinyl)prop-2'-enyl]-5-oxocyclopentane-1-carboxylate
Wiley ID 1330861