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5-Fluoro-2-trifluoromethylbenzoic acid, phenyl ester

View entire compound with spectra: 1 FTIR

5-Fluoro-2-trifluoromethylbenzoic acid, phenyl ester
SpectraBase Compound ID GWH8Sz5XqKY
InChI InChI=1S/C14H8F4O2/c15-9-6-7-12(14(16,17)18)11(8-9)13(19)20-10-4-2-1-3-5-10/h1-8H
InChIKey PIXDLFCOGROUOG-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 CrOwRRBjloC
Name 5-Fluoro-2-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/c15-9-6-7-12(14(16,17)18)11(8-9)13(19)20-10-4-2-1-3-5-10/h1-8H
InChIKey PIXDLFCOGROUOG-UHFFFAOYSA-N
Molecular Weight 284.210 g/mol
SMILES C1=CC=C(C=C1)OC(C1=C(C(F)(F)F)C=CC(=C1)F)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.922135