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3-Chloro-2-fluorobenzoic acid, 3-methylphenyl ester

View entire compound with spectra: 1 FTIR

3-Chloro-2-fluorobenzoic acid, 3-methylphenyl ester
SpectraBase Compound ID GWvuOBK5Dgt
InChI InChI=1S/C14H10ClFO2/c1-9-4-2-5-10(8-9)18-14(17)11-6-3-7-12(15)13(11)16/h2-8H,1H3
InChIKey VRSWPYUREXWJDA-UHFFFAOYSA-N
Mol Weight 264.68 g/mol
Molecular Formula C14H10ClFO2
Exact Mass 264.035335 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 3I2WQGMHKaI
Name 3-Chloro-2-fluorobenzoic acid, 3-methylphenyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 264.035335423 u
Formula C14H10ClFO2
InChI InChI=1S/C14H10ClFO2/c1-9-4-2-5-10(8-9)18-14(17)11-6-3-7-12(15)13(11)16/h2-8H,1H3
InChIKey VRSWPYUREXWJDA-UHFFFAOYSA-N
Molecular Weight 264.683 g/mol
SMILES C1=C(C(=C(C=C1)Cl)F)C(=O)OC=1C=CC=C(C)C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.919968