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3-(Phenylthio)propionic acid methyl ester

View entire compound with spectra: 5 NMR, 1 FTIR, 1 Raman, 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

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID HAV1TAbsIIV
Name 3-(PHENYLTHIO)PROPIONIC ACID, METHYL ESTER
Source of Sample Aldrich Chemical Company, Inc., Milwaukee, Wisconsin
Catalog Number S61437
Copyright Copyright © 1980, 1981-2025 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 196.264008
Synonyms PROPIONIC ACID, 3-/PHENYLTHIO/-, METHYL ESTER
Technique CAPILLARY CELL: NEAT