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(Benzylsulfanyl)acetic acid

View entire compound with spectra: 4 NMR, 3 FTIR, 1 Raman, and 2 MS (GC)

(Benzylsulfanyl)acetic acid
SpectraBase Compound ID 9q9ERYJABFZ
InChI InChI=1S/C9H10O2S/c10-9(11)7-12-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,11)
InChIKey AWLVTQRRKPBQEQ-UHFFFAOYSA-N
Mol Weight 182.24 g/mol
Molecular Formula C9H10O2S
Exact Mass 182.040151 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3860FBtApPk
Name S-Benzylthioglycolic acid
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number B32203
CAS Registry Number 103-46-8
Copyright Copyright © 2021-2025 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H10O2S
InChI 1S/C9H10O2S/c10-9(11)7-12-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,11)
InChIKey AWLVTQRRKPBQEQ-UHFFFAOYSA-N
Observed nucleus 13C
Purity 97%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms (Benzylthio)acetic acid; Benzylmercaptoacetic acid
Wiley ID SIAL_13CNMR_010852