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3-Fluorobenzoic acid, 2-methylphenyl ester

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

3-Fluorobenzoic acid, 2-methylphenyl ester
SpectraBase Compound ID CQmCpc5UBv4
InChI InChI=1S/C14H11FO2/c1-10-5-2-3-8-13(10)17-14(16)11-6-4-7-12(15)9-11/h2-9H,1H3
InChIKey SAXHXTXFTOJQBY-UHFFFAOYSA-N
Mol Weight 230.24 g/mol
Molecular Formula C14H11FO2
Exact Mass 230.074308 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID I7ViKsEbPFP
Name 3-Fluorobenzoic acid, 2-methylphenyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 230.074307755 u
Formula C14H11FO2
InChI InChI=1S/C14H11FO2/c1-10-5-2-3-8-13(10)17-14(16)11-6-4-7-12(15)9-11/h2-9H,1H3
InChIKey SAXHXTXFTOJQBY-UHFFFAOYSA-N
Molecular Weight 230.238 g/mol
SMILES C1=C(C=C(C=C1)C(OC1=CC=CC=C1C)=O)F
Spectrum/Structure Validation Score (Vapor Phase IR) 0.832378