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5-Fluoro-2-trifluoromethylbenzoic acid, 3-methylphenyl ester

View entire compound with spectra: 1 FTIR

5-Fluoro-2-trifluoromethylbenzoic acid, 3-methylphenyl ester
SpectraBase Compound ID JoKZwuvjG5L
InChI InChI=1S/C15H10F4O2/c1-9-3-2-4-11(7-9)21-14(20)12-8-10(16)5-6-13(12)15(17,18)19/h2-8H,1H3
InChIKey AGCBEOCHUMNATA-UHFFFAOYSA-N
Mol Weight 298.24 g/mol
Molecular Formula C15H10F4O2
Exact Mass 298.061692 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID D41rsMkjQeU
Name 5-Fluoro-2-trifluoromethylbenzoic acid, 3-methylphenyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 298.061692212 u
Formula C15H10F4O2
InChI InChI=1S/C15H10F4O2/c1-9-3-2-4-11(7-9)21-14(20)12-8-10(16)5-6-13(12)15(17,18)19/h2-8H,1H3
InChIKey AGCBEOCHUMNATA-UHFFFAOYSA-N
Molecular Weight 298.237 g/mol
SMILES CC1=CC=CC(=C1)OC(C1=C(C(F)(F)F)C=CC(=C1)F)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.942225