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2-Oxo-4-(phenylsulfanyl)butyl acetate
SpectraBase Compound ID C5C2QHPm2e3
InChI InChI=1S/C12H14O3S/c1-10(13)15-9-11(14)7-8-16-12-5-3-2-4-6-12/h2-6H,7-9H2,1H3
InChIKey RHWFVOYETGRZDE-UHFFFAOYSA-N
Mol Weight 238.3 g/mol
Molecular Formula C12H14O3S
Exact Mass 238.066365 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CC0rFFkiPkb
Name 2-Oxo-4-(phenylsulfanyl)butyl acetate
CAS Registry Number 61955-92-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14O3S
InChI InChI=1S/C12H14O3S/c1-10(13)15-9-11(14)7-8-16-12-5-3-2-4-6-12/h2-6H,7-9H2,1H3
InChIKey RHWFVOYETGRZDE-UHFFFAOYSA-N
Molecular Weight 238.301 g/mol
SMILES CC(=O)OCC(CCSc1ccccc1)=O
SPLASH splash10-0006-9500000000-957a8555c84187018e3e
Source of Spectrum W5-1989-9475-1
Synonyms (2-oxidanylidene-4-phenylsulfanyl-butyl) ethanoate 1-Acetoxy-4-phenylthio-2-butanone Acetic acid [2-oxo-4-(phenylthio)butyl] ester (2-oxo-4-phenylsulfanylbutyl) acetate (2-oxo-4-phenylsulfanyl-butyl) acetate
Wiley ID 1240230