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3-(phenylthio)propionic acid, methyl ester

View entire compound with spectra: 5 NMR, 1 FTIR, and 5 MS (GC)

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 CjmcRde574z
Name Methyl 3-(Phenylsulfanyl)propanoate
Alternate Name(s) Methyl 3-(phenylthio)propanoate
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
Literature Reference DOI 10.1002_1522-2675(200210)85_10_3272
Molecular Weight 196.264 g/mol
SMILES C(CCSc1ccccc1)(=O)OC
SPLASH splash10-0002-3900000000-d3f4a7e6d5b9842dcc9a
Source of Spectrum H-85-3277-3a
Wiley ID 1787561