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Methyl [1RS,2RS,2'E]-2-[1',1'-dimethyl-3'-(phenylthio)prop-2'-enyl]-5-oxocyclopentane-1-carboxylate
SpectraBase Compound ID 3kTsHFKofug
InChI InChI=1S/C18H22O3S/c1-18(2,11-12-22-13-7-5-4-6-8-13)14-9-10-15(19)16(14)17(20)21-3/h4-8,11-12,14,16H,9-10H2,1-3H3/b12-11+
InChIKey VIKVXJUOALLGET-VAWYXSNFSA-N
Mol Weight 318.43 g/mol
Molecular Formula C18H22O3S
Exact Mass 318.128966 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Km2LwVrOZS6
Name Methyl [1RS,2RS,2'E]-2-[1',1'-dimethyl-3'-(phenylthio)prop-2'-enyl]-5-oxocyclopentane-1-carboxylate
CAS Registry Number 125278-65-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H22O3S
InChI InChI=1S/C18H22O3S/c1-18(2,11-12-22-13-7-5-4-6-8-13)14-9-10-15(19)16(14)17(20)21-3/h4-8,11-12,14,16H,9-10H2,1-3H3/b12-11+
InChIKey VIKVXJUOALLGET-VAWYXSNFSA-N
Molecular Weight 318.431 g/mol
SMILES C1(C(C(\C=C\Sc2ccccc2)(C)C)CCC1=O)C(=O)OC
SPLASH splash10-004i-0901000000-9befc5bb998aa729c234
Source of Spectrum B-42-1466-8
Synonyms Methyl 2-[(2E)-1,1-dimethyl-3-(phenylsulfanyl)-2-propenyl]-5-oxocyclopentanecarboxylate
Wiley ID 1318490