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3-(phenylthio)propionic acid, methyl ester
SpectraBase Compound ID 5kxP9C0HMuQ
InChI InChI=1S/C10H12O2S/c1-12-10(11)7-8-13-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3
InChIKey QWFLXSYICHFNBN-UHFFFAOYSA-N
Mol Weight 196.26 g/mol
Molecular Formula C10H12O2S
Exact Mass 196.055801 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 46TQZ5AtuUn
Name Propanoic acid, 3-(phenylthio)-, methyl ester
Alternate Name(s) 3-(Phenylthio)propanoic acid methyl ester 3-(Phenylthio)propionic acid methyl ester Methyl 3-(phenylthio)propanoate Methyl 3-phenylsulfanylpropanoate
CAS Registry Number 22198-59-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H12O2S
InChI InChI=1S/C10H12O2S/c1-12-10(11)7-8-13-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3
InChIKey QWFLXSYICHFNBN-UHFFFAOYSA-N
Molecular Weight 196.264 g/mol
SMILES C(CCSc1ccccc1)(=O)OC
SPLASH splash10-0a4i-9800000000-4be1ab6a4108a3f2052b
Source of Spectrum J-57-4704-0
Wiley ID 1192718