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S-[p-Chlorothiobenzoyl]thioglycolic acid

View entire compound with spectra: 1 NMR, and 1 FTIR

S-[p-Chlorothiobenzoyl]thioglycolic acid
SpectraBase Compound ID 3yfWswNQBF
InChI InChI=1S/C9H7ClO2S2/c10-7-3-1-6(2-4-7)9(13)14-5-8(11)12/h1-4H,5H2,(H,11,12)
InChIKey ANBCAXVEMHHBFM-UHFFFAOYSA-N
Mol Weight 246.73 g/mol
Molecular Formula C9H7ClO2S2
Exact Mass 245.9576 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID GdzjA58I04Z
Name S-[p-Chlorothiobenzoyl]thioglycolic acid
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 245.957599511 u
Formula C9H7ClO2S2
InChI InChI=1S/C9H7ClO2S2/c10-7-3-1-6(2-4-7)9(13)14-5-8(11)12/h1-4H,5H2,(H,11,12)
InChIKey ANBCAXVEMHHBFM-UHFFFAOYSA-N
Molecular Weight 246.726 g/mol
SMILES C1(Cl)=CC=C(C=C1)C(=S)SCC(=O)O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.950919