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2-Oxo-1-(phenylthio)propyl benzoate
SpectraBase Compound ID ErlJZwJPhqo
InChI InChI=1S/C16H14O3S/c1-12(17)16(20-14-10-6-3-7-11-14)19-15(18)13-8-4-2-5-9-13/h2-11,16H,1H3
InChIKey REJOGDHIRIMEMC-UHFFFAOYSA-N
Mol Weight 286.35 g/mol
Molecular Formula C16H14O3S
Exact Mass 286.066365 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LhXPBAYjxeV
Name 2-Oxo-1-(phenylthio)propyl benzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H14O3S
InChI InChI=1S/C16H14O3S/c1-12(17)16(20-14-10-6-3-7-11-14)19-15(18)13-8-4-2-5-9-13/h2-11,16H,1H3
InChIKey REJOGDHIRIMEMC-UHFFFAOYSA-N
Literature Reference DOI 10.1002/adsc.201000376
Molecular Weight 286.345 g/mol
SMILES C(c1ccccc1)(=O)OC(C(C)=O)Sc1ccccc1
SPLASH splash10-0a4i-2910000000-407b61ceb4dabaebd4d7
Source of Spectrum ASC-352-2955/SM3-1b
Synonyms Benzoic acid [2-oxo-1-(phenylthio)propyl] ester (2-oxo-1-phenylsulfanylpropyl) benzoate (2-oxo-1-phenylsulfanyl-propyl) benzoate (2-oxidanylidene-1-phenylsulfanyl-propyl) benzoate
Wiley ID 1764070