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4-Methyl-3-(trifluoromethyl)benzoic acid

View entire compound with spectra: 1 FTIR

4-Methyl-3-(trifluoromethyl)benzoic acid
SpectraBase Compound ID J4n2bfFgRnh
InChI InChI=1S/C9H7F3O2/c1-5-2-3-6(8(13)14)4-7(5)9(10,11)12/h2-4H,1H3,(H,13,14)
InChIKey CAPKAYDTKWGFQB-UHFFFAOYSA-N
Mol Weight 204.15 g/mol
Molecular Formula C9H7F3O2
Exact Mass 204.039814 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID DziEZDr9FV7
Name 4-Methyl-3-(trifluoromethyl)benzoic acid
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 204.039813952 u
Formula C9H7F3O2
InChI InChI=1S/C9H7F3O2/c1-5-2-3-6(8(13)14)4-7(5)9(10,11)12/h2-4H,1H3,(H,13,14)
InChIKey CAPKAYDTKWGFQB-UHFFFAOYSA-N
Molecular Weight 204.148 g/mol
SMILES C(F)(F)(F)C1=C(C=CC(=C1)C(=O)O)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.978368