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3,4-Difluorobenzoic acid, 4-benzyloxyphenyl ester

View entire compound with spectra: 1 NMR, and 1 FTIR

3,4-Difluorobenzoic acid, 4-benzyloxyphenyl ester
SpectraBase Compound ID BLI5cuuoIPI
InChI InChI=1S/C20H14F2O3/c21-18-11-6-15(12-19(18)22)20(23)25-17-9-7-16(8-10-17)24-13-14-4-2-1-3-5-14/h1-12H,13H2
InChIKey VJJVUDXPCXDIKE-UHFFFAOYSA-N
Mol Weight 340.33 g/mol
Molecular Formula C20H14F2O3
Exact Mass 340.091101 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID CXIRy5edvmW
Name 3,4-Difluorobenzoic acid, 4-benzyloxyphenyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 340.091100634 u
Formula C20H14F2O3
InChI InChI=1S/C20H14F2O3/c21-18-11-6-15(12-19(18)22)20(23)25-17-9-7-16(8-10-17)24-13-14-4-2-1-3-5-14/h1-12H,13H2
InChIKey VJJVUDXPCXDIKE-UHFFFAOYSA-N
Molecular Weight 340.326 g/mol
SMILES C1=C(C=C(C(=C1)F)F)C(=O)OC1=CC=C(C=C1)OCC1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.943532