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3-(4-Chlorophenyl)-3-(phenylthio)propanoic acid

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

3-(4-Chlorophenyl)-3-(phenylthio)propanoic acid
SpectraBase Compound ID BislBZdxhBx
InChI InChI=1S/C15H13ClO2S/c16-12-8-6-11(7-9-12)14(10-15(17)18)19-13-4-2-1-3-5-13/h1-9,14H,10H2,(H,17,18)
InChIKey GSEYDFRCAOTGNI-UHFFFAOYSA-N
Mol Weight 292.78 g/mol
Molecular Formula C15H13ClO2S
Exact Mass 292.032479 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID B9c7sVPrM5
Name 3-(4-Chlorophenyl)-3-(phenylthio)propanoic acid
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 292.032478531 u
Formula C15H13ClO2S
InChI InChI=1S/C15H13ClO2S/c16-12-8-6-11(7-9-12)14(10-15(17)18)19-13-4-2-1-3-5-13/h1-9,14H,10H2,(H,17,18)
InChIKey GSEYDFRCAOTGNI-UHFFFAOYSA-N
Molecular Weight 292.780 g/mol
SMILES C(C(SC1=CC=CC=C1)C=1C=CC(=CC1)Cl)C(=O)O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.95758