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3-Chloro-2-fluorobenzoic acid, phenylester

View entire compound with spectra: 1 FTIR

3-Chloro-2-fluorobenzoic acid, phenylester
SpectraBase Compound ID 8QIEe3ICxgA
InChI InChI=1S/C13H8ClFO2/c14-11-8-4-7-10(12(11)15)13(16)17-9-5-2-1-3-6-9/h1-8H
InChIKey JNBLJOFPYZIRPK-UHFFFAOYSA-N
Mol Weight 250.66 g/mol
Molecular Formula C13H8ClFO2
Exact Mass 250.019685 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 8G3pBFa3txR
Name 3-Chloro-2-fluorobenzoic acid, phenylester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 250.019685359 u
Formula C13H8ClFO2
InChI InChI=1S/C13H8ClFO2/c14-11-8-4-7-10(12(11)15)13(16)17-9-5-2-1-3-6-9/h1-8H
InChIKey JNBLJOFPYZIRPK-UHFFFAOYSA-N
Molecular Weight 250.656 g/mol
SMILES C1=C(C(=C(C=C1)Cl)F)C(=O)OC1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.951772