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Propionic acid, 2-mercapto-, benzyl ester, acetate
SpectraBase Compound ID EtA4MrVXcja
InChI InChI=1S/C12H14O3S/c1-9(16-10(2)13)12(14)15-8-11-6-4-3-5-7-11/h3-7,9H,8H2,1-2H3
InChIKey PENZKXXELJADOL-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 KcW6VCwfoHA
Name Propionic acid, 2-mercapto-, benzyl ester, acetate
CAS Registry Number 16850-03-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14O3S
InChI InChI=1S/C12H14O3S/c1-9(16-10(2)13)12(14)15-8-11-6-4-3-5-7-11/h3-7,9H,8H2,1-2H3
InChIKey PENZKXXELJADOL-UHFFFAOYSA-N
Molecular Weight 238.301 g/mol
SMILES CC(C(=O)OCc1ccccc1)SC(C)=O
SPLASH splash10-0006-9100000000-27531e1e4b73f4b094df
Source of Spectrum AD-0-2011-0
Synonyms Benzyl 2-(acetylsulfanyl)propanoate (phenylmethyl) 2-ethanoylsulfanylpropanoate Benzyl 2(acetylthio)propionate 2-(acetylthio)propanoic acid (phenylmethyl) ester 2-(acetylthio)propionic acid benzyl ester Benzyl 2-(acetylthio)propanoate Benzyl 2-acetylsulfanylpropanoate
Wiley ID 1240217