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3-Fluoro-5-trifluoromethylbenzoic acid, phenyl ester

View entire compound with spectra: 1 FTIR

3-Fluoro-5-trifluoromethylbenzoic acid, phenyl ester
SpectraBase Compound ID GEWLYiPQFas
InChI InChI=1S/C14H8F4O2/c15-11-7-9(6-10(8-11)14(16,17)18)13(19)20-12-4-2-1-3-5-12/h1-8H
InChIKey BQMZNYOYJDZWOD-UHFFFAOYSA-N
Mol Weight 284.21 g/mol
Molecular Formula C14H8F4O2
Exact Mass 284.046042 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID EMW0SSIO0Ue
Name 3-Fluoro-5-trifluoromethylbenzoic acid, phenyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 284.046042148 u
Formula C14H8F4O2
InChI InChI=1S/C14H8F4O2/c15-11-7-9(6-10(8-11)14(16,17)18)13(19)20-12-4-2-1-3-5-12/h1-8H
InChIKey BQMZNYOYJDZWOD-UHFFFAOYSA-N
Molecular Weight 284.210 g/mol
SMILES C1=C(C=C(C=C1C(F)(F)F)F)C(=O)OC1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.93202