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2-Oxo-3-(phenylsulfanyl)propyl acetate
SpectraBase Compound ID B6GArbTQ2GW
InChI InChI=1S/C11H12O3S/c1-9(12)14-7-10(13)8-15-11-5-3-2-4-6-11/h2-6H,7-8H2,1H3
InChIKey SUEZDFZHNSKENH-UHFFFAOYSA-N
Mol Weight 224.27 g/mol
Molecular Formula C11H12O3S
Exact Mass 224.050715 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 55BTlud44mj
Name 2-Oxo-3-(phenylsulfanyl)propyl acetate
Alternate Name(s) (2-oxidanylidene-3-phenylsulfanyl-propyl) ethanoate 1-Phenylthio-3-acetoxy-2-propanone Acetic acid [2-oxo-3-(phenylthio)propyl] ester (2-oxo-3-phenylsulfanylpropyl) acetate (2-oxo-3-phenylsulfanyl-propyl) acetate
CAS Registry Number 22198-57-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H12O3S
InChI InChI=1S/C11H12O3S/c1-9(12)14-7-10(13)8-15-11-5-3-2-4-6-11/h2-6H,7-8H2,1H3
InChIKey SUEZDFZHNSKENH-UHFFFAOYSA-N
Molecular Weight 224.274 g/mol
SMILES CC(=O)OCC(CSc1ccccc1)=O
SPLASH splash10-006y-9500000000-e979849cb141c0f10476
Source of Spectrum W5-1989-9471-1
Wiley ID 1224675