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4-[4-Chlorophenyl]benzoic acid

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

4-[4-Chlorophenyl]benzoic acid
SpectraBase Compound ID 4kOnMHW7KVV
InChI InChI=1S/C13H9ClO2/c14-12-7-5-10(6-8-12)9-1-3-11(4-2-9)13(15)16/h1-8H,(H,15,16)
InChIKey FIMRRWLTRBEAOM-UHFFFAOYSA-N
Mol Weight 232.67 g/mol
Molecular Formula C13H9ClO2
Exact Mass 232.029107 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 6IKkPNL9eyA
Name 4-[4-Chlorophenyl]benzoic acid
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 232.029107228 u
Formula C13H9ClO2
InChI InChI=1S/C13H9ClO2/c14-12-7-5-10(6-8-12)9-1-3-11(4-2-9)13(15)16/h1-8H,(H,15,16)
InChIKey FIMRRWLTRBEAOM-UHFFFAOYSA-N
Molecular Weight 232.666 g/mol
SMILES C1(=CC=C(C=C1)C(O)=O)C1=CC=C(C=C1)Cl
Spectrum/Structure Validation Score (Vapor Phase IR) 0.922297