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Acetic acid, [(1-methyl-2-oxo-3-phenylpropyl)thio]-, methyl ester
SpectraBase Compound ID Fq5BcpKUnFb
InChI InChI=1S/C13H16O3S/c1-10(17-9-13(15)16-2)12(14)8-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3
InChIKey SIHRHTLYQCMBDA-UHFFFAOYSA-N
Mol Weight 252.33 g/mol
Molecular Formula C13H16O3S
Exact Mass 252.082016 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5hrfQaqqzEZ
Name Acetic acid, [(1-methyl-2-oxo-3-phenylpropyl)thio]-, methyl ester
CAS Registry Number 95110-64-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16O3S
InChI InChI=1S/C13H16O3S/c1-10(17-9-13(15)16-2)12(14)8-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3
InChIKey SIHRHTLYQCMBDA-UHFFFAOYSA-N
Molecular Weight 252.328 g/mol
SMILES C(Cc1ccccc1)(=O)C(SCC(=O)OC)C
SPLASH splash10-000x-9720000000-c2f15041d7d74c3e6114
Source of Spectrum AJ-58-2854-5
Synonyms 3-Methoxycarbonylmethylthio-1-phenyl-2-butanone Methyl[(1-methyl-2-oxo-3-phenylpropyl)sulfanyl]acetate
Wiley ID 1255321