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2-Oxo-3-phenyl-3-(phenylsulfanyl)propyl acetate
SpectraBase Compound ID JJ5h3f7I1SA
InChI InChI=1S/C17H16O3S/c1-13(18)20-12-16(19)17(14-8-4-2-5-9-14)21-15-10-6-3-7-11-15/h2-11,17H,12H2,1H3
InChIKey WPGXFOMECCQLOY-UHFFFAOYSA-N
Mol Weight 300.37 g/mol
Molecular Formula C17H16O3S
Exact Mass 300.082016 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1Ws3jc6dZqq
Name 2-Oxo-3-phenyl-3-(phenylsulfanyl)propyl acetate
CAS Registry Number 53258-90-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H16O3S
InChI InChI=1S/C17H16O3S/c1-13(18)20-12-16(19)17(14-8-4-2-5-9-14)21-15-10-6-3-7-11-15/h2-11,17H,12H2,1H3
InChIKey WPGXFOMECCQLOY-UHFFFAOYSA-N
Molecular Weight 300.372 g/mol
SMILES CC(=O)OCC(C(c1ccccc1)Sc1ccccc1)=O
SPLASH splash10-0005-8910000000-c9776ec4a43a73204645
Source of Spectrum W5-1989-9468-1
Synonyms (2-oxidanylidene-3-phenyl-3-phenylsulfanyl-propyl) ethanoate 1-Phenylthio-1-phenyl-3-acetoxy-2-propanone Acetic acid [2-oxo-3-phenyl-3-(phenylthio)propyl] ester (2-oxo-3-phenyl-3-phenylsulfanylpropyl) acetate (2-oxo-3-phenyl-3-phenylsulfanyl-propyl) acetate
Wiley ID 1302867