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3-(Benzylthio)propionic acid, methyl ester

View entire compound with spectra: 3 NMR, 1 FTIR, 1 Raman, and 2 MS (GC)

3-(Benzylthio)propionic acid, methyl ester
SpectraBase Compound ID KcB4I5tnlKF
InChI InChI=1S/C11H14O2S/c1-13-11(12)7-8-14-9-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3
InChIKey KFRBVHFYLRIKNQ-UHFFFAOYSA-N
Mol Weight 210.29 g/mol
Molecular Formula C11H14O2S
Exact Mass 210.071451 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LUQjaCV6FAG
Name 3-(BENZYLTHIO)PROPIONIC ACID, METHYL ESTER
Source of Sample Aldrich Chemical Company, Inc., Milwaukee, Wisconsin
Copyright Copyright © 1980, 1981-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H14O2S
InChI InChI=1S/C11H14O2S/c1-13-11(12)7-8-14-9-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3
InChIKey KFRBVHFYLRIKNQ-UHFFFAOYSA-N
Molecular Weight 210.30
Solvent Chloroform-d; Reference=TMS Spectrometer= Bruker AC-300
Synonyms PROPIONIC ACID, 3-/BENZYLTHIO/-, METHYL ESTER