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3-Oxo-4-(phenylsulfanyl)butyl acetate
SpectraBase Compound ID GzKmYGPrm6p
InChI InChI=1S/C12H14O3S/c1-10(13)15-8-7-11(14)9-16-12-5-3-2-4-6-12/h2-6H,7-9H2,1H3
InChIKey OSCXWJFSONCESL-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 2cAp8ZrClc
Name 3-Oxo-4-(phenylsulfanyl)butyl acetate
Alternate Name(s) (3-oxidanylidene-4-phenylsulfanyl-butyl) ethanoate 1-Phenylthio-4-acetoxy-2-butanone Acetic acid [3-oxo-4-(phenylthio)butyl] ester (3-oxo-4-phenylsulfanylbutyl) acetate (3-oxo-4-phenylsulfanyl-butyl) acetate
CAS Registry Number 75273-64-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14O3S
InChI InChI=1S/C12H14O3S/c1-10(13)15-8-7-11(14)9-16-12-5-3-2-4-6-12/h2-6H,7-9H2,1H3
InChIKey OSCXWJFSONCESL-UHFFFAOYSA-N
Molecular Weight 238.301 g/mol
SMILES CC(=O)OCCC(CSc1ccccc1)=O
SPLASH splash10-0705-9400000000-3f98fcf5d739da757d27
Source of Spectrum W5-1989-9474-1
Wiley ID 1240232