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3-keto-2-(phenylthio)butyric acid ethyl ester
SpectraBase Compound ID LJimVndRMwy
InChI InChI=1S/C12H14O3S/c1-3-15-12(14)11(9(2)13)16-10-7-5-4-6-8-10/h4-8,11H,3H2,1-2H3
InChIKey BSVDROJBPIAHQN-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 BIYjYb8UPPO
Name 3-keto-2-(phenylthio)butyric acid ethyl ester
CAS Registry Number 27872-73-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14O3S
InChI InChI=1S/C12H14O3S/c1-3-15-12(14)11(9(2)13)16-10-7-5-4-6-8-10/h4-8,11H,3H2,1-2H3
InChIKey BSVDROJBPIAHQN-UHFFFAOYSA-N
Molecular Weight 238.301 g/mol
SMILES C(C(=O)OCC)(Sc1ccccc1)C(=O)C
SPLASH splash10-0006-5920000000-95ecbfd25721092eb1d3
Source of Spectrum KC-1986-1700-21
Synonyms 3-Oxo-2-(phenylthio)butanoic acid ethyl ester Ethyl 3-oxidanylidene-2-phenylsulfanyl-butanoate Ethyl 3-oxo-2-phenylsulfanylbutanoate
Wiley ID 1240241