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((p-Chlorophenyl)thio)acetic acid

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

((p-Chlorophenyl)thio)acetic acid
SpectraBase Compound ID H64OiRZXllJ
InChI InChI=1S/C8H7ClO2S/c9-6-1-3-7(4-2-6)12-5-8(10)11/h1-4H,5H2,(H,10,11)
InChIKey YPKLXLYGMAWXDO-UHFFFAOYSA-N
Mol Weight 202.65 g/mol
Molecular Formula C8H7ClO2S
Exact Mass 201.985528 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CKIpf2W4TIO
Name (4-Chlorophenylthio)acetic acid
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 449091
CAS Registry Number 3405-88-7
Copyright Copyright © 2021-2025 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H7ClO2S
InChI 1S/C8H7ClO2S/c9-6-1-3-7(4-2-6)12-5-8(10)11/h1-4H,5H2,(H,10,11)
InChIKey YPKLXLYGMAWXDO-UHFFFAOYSA-N
Observed nucleus 13C
Purity 98%
Solvent DMSO-d6
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms 2-((4-Chlorophenyl)thio)acetic acid p-Chlorophenylmercaptoacetic acid
Wiley ID SIAL_13CNMR_009901