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4-Fluorobenzoic acid, benzyl ester

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

4-Fluorobenzoic acid, benzyl ester
SpectraBase Compound ID A5by4dCdfHL
InChI InChI=1S/C14H11FO2/c15-13-8-6-12(7-9-13)14(16)17-10-11-4-2-1-3-5-11/h1-9H,10H2
InChIKey CNTWNLQFUTWHID-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 2FguJcK4PzD
Name 4-Fluorobenzoic acid, benzyl 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/c15-13-8-6-12(7-9-13)14(16)17-10-11-4-2-1-3-5-11/h1-9H,10H2
InChIKey CNTWNLQFUTWHID-UHFFFAOYSA-N
Molecular Weight 230.238 g/mol
SMILES C1=CC=CC=C1COC(=O)C=1C=CC(F)=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.879989