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2-Oxo-3-(phenylsulfanyl)butyl acetate
SpectraBase Compound ID CIfNOIXG5Ca
InChI InChI=1S/C12H14O3S/c1-9(12(14)8-15-10(2)13)16-11-6-4-3-5-7-11/h3-7,9H,8H2,1-2H3
InChIKey NATCZSZZCBMSTI-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 7cro4ZqF5jA
Name 2-Oxo-3-(phenylsulfanyl)butyl acetate
Alternate Name(s) (2-oxidanylidene-3-phenylsulfanyl-butyl) ethanoate 1-Acetoxy-3-phenylthio-2-butanone Acetic acid [2-oxo-3-(phenylthio)butyl] ester (2-oxo-3-phenylsulfanylbutyl) acetate (2-oxo-3-phenylsulfanyl-butyl) acetate
CAS Registry Number 75273-63-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14O3S
InChI InChI=1S/C12H14O3S/c1-9(12(14)8-15-10(2)13)16-11-6-4-3-5-7-11/h3-7,9H,8H2,1-2H3
InChIKey NATCZSZZCBMSTI-UHFFFAOYSA-N
Molecular Weight 238.301 g/mol
SMILES CC(C(COC(C)=O)=O)Sc1ccccc1
SPLASH splash10-000i-5900000000-9882c63342a7acf7b839
Source of Spectrum W5-1989-9477-1
Wiley ID 1240231