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2-[4-Trifluoromethylbenzoyl]benzoic acid

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

2-[4-Trifluoromethylbenzoyl]benzoic acid
SpectraBase Compound ID BHmDFHM5yKG
InChI InChI=1S/C15H9F3O3/c16-15(17,18)10-7-5-9(6-8-10)13(19)11-3-1-2-4-12(11)14(20)21/h1-8H,(H,20,21)
InChIKey WTUHFTDBRBCODT-UHFFFAOYSA-N
Mol Weight 294.23 g/mol
Molecular Formula C15H9F3O3
Exact Mass 294.050379 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID IxhXDXohApy
Name 2-[4-Trifluoromethylbenzoyl]benzoic acid
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 294.050378636 u
Formula C15H9F3O3
InChI InChI=1S/C15H9F3O3/c16-15(17,18)10-7-5-9(6-8-10)13(19)11-3-1-2-4-12(11)14(20)21/h1-8H,(H,20,21)
InChIKey WTUHFTDBRBCODT-UHFFFAOYSA-N
Molecular Weight 294.229 g/mol
SMILES C(=O)(C1=C(C(O)=O)C=CC=C1)C1=CC=C(C=C1)C(F)(F)F
Spectrum/Structure Validation Score (Vapor Phase IR) 0.921322