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2-Fluorobenzoic acid, 4-methoxybenzyl ester

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

2-Fluorobenzoic acid, 4-methoxybenzyl ester
SpectraBase Compound ID 1Bl2NuLGL0S
InChI InChI=1S/C15H13FO3/c1-18-12-8-6-11(7-9-12)10-19-15(17)13-4-2-3-5-14(13)16/h2-9H,10H2,1H3
InChIKey JBLGPJQQARCSQX-UHFFFAOYSA-N
Mol Weight 260.26 g/mol
Molecular Formula C15H13FO3
Exact Mass 260.084872 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 2zqAO0LUI8p
Name 2-Fluorobenzoic acid, 4-methoxybenzyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 260.084872439 u
Formula C15H13FO3
InChI InChI=1S/C15H13FO3/c1-18-12-8-6-11(7-9-12)10-19-15(17)13-4-2-3-5-14(13)16/h2-9H,10H2,1H3
InChIKey JBLGPJQQARCSQX-UHFFFAOYSA-N
Molecular Weight 260.264 g/mol
SMILES COC1=CC=C(C=C1)COC(=O)C1=CC=CC=C1F
Spectrum/Structure Validation Score (Vapor Phase IR) 0.904992