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(Phenylthio)acetic acid

View entire compound with spectra: 14 NMR, 4 FTIR, and 3 MS (GC)

(Phenylthio)acetic acid
SpectraBase Compound ID 6MVayGymtV0
InChI InChI=1S/C8H8O2S/c9-8(10)6-11-7-4-2-1-3-5-7/h1-5H,6H2,(H,9,10)
InChIKey MOTOSAGBNXXRRE-UHFFFAOYSA-N
Mol Weight 168.21 g/mol
Molecular Formula C8H8O2S
Exact Mass 168.024501 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DGmFBFwM8hS
Name (Phenylthio)acetic acid
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number T33006
CAS Registry Number 103-04-8
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H8O2S
InChI InChI=1S/C8H8O2S/c9-8(10)6-11-7-4-2-1-3-5-7/h1-5H,6H2,(H,9,10)
InChIKey MOTOSAGBNXXRRE-UHFFFAOYSA-N
Observed nucleus 13C
Purity 96%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms (Phenylmercapto)acetic acid; S-Phenylthioglycolic acid; Thiophenoxyacetic acid
Wiley ID SIAL_13CNMR_012821