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2-(3-Methylbenzyl)benzoic acid

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

2-(3-Methylbenzyl)benzoic acid
SpectraBase Compound ID 1yg4L5CnLxM
InChI InChI=1S/C15H14O2/c1-11-5-4-6-12(9-11)10-13-7-2-3-8-14(13)15(16)17/h2-9H,10H2,1H3,(H,16,17)
InChIKey VKODRKKYDYFEEV-UHFFFAOYSA-N
Mol Weight 226.27 g/mol
Molecular Formula C15H14O2
Exact Mass 226.09938 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 1vd00fx5wIL
Name 2-(3-Methylbenzyl)benzoic acid
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 226.099379689 u
Formula C15H14O2
InChI InChI=1S/C15H14O2/c1-11-5-4-6-12(9-11)10-13-7-2-3-8-14(13)15(16)17/h2-9H,10H2,1H3,(H,16,17)
InChIKey VKODRKKYDYFEEV-UHFFFAOYSA-N
Molecular Weight 226.275 g/mol
SMILES C(C=1C(CC=2C=C(C)C=CC2)=CC=CC1)(=O)O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.805133