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3,4-Difluorobenzoic acid, phenyl ester

View entire compound with spectra: 1 FTIR

3,4-Difluorobenzoic acid, phenyl ester
SpectraBase Compound ID CltaxxXS0Td
InChI InChI=1S/C13H8F2O2/c14-11-7-6-9(8-12(11)15)13(16)17-10-4-2-1-3-5-10/h1-8H
InChIKey MBXVGYFPALUQAL-UHFFFAOYSA-N
Mol Weight 234.2 g/mol
Molecular Formula C13H8F2O2
Exact Mass 234.049236 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 4AimtvRB8a5
Name 3,4-Difluorobenzoic acid, phenyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 234.049235822 u
Formula C13H8F2O2
InChI InChI=1S/C13H8F2O2/c14-11-7-6-9(8-12(11)15)13(16)17-10-4-2-1-3-5-10/h1-8H
InChIKey MBXVGYFPALUQAL-UHFFFAOYSA-N
Molecular Weight 234.202 g/mol
SMILES C1=C(C=C(C(=C1)F)F)C(=O)OC1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.954591