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4-Fluorobenzoic acid, 4-benzyloxyphenyl ester

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

4-Fluorobenzoic acid, 4-benzyloxyphenyl ester
SpectraBase Compound ID 9H1hIr16ynq
InChI InChI=1S/C20H15FO3/c21-17-8-6-16(7-9-17)20(22)24-19-12-10-18(11-13-19)23-14-15-4-2-1-3-5-15/h1-13H,14H2
InChIKey HENSJJMDUPRVGC-UHFFFAOYSA-N
Mol Weight 322.34 g/mol
Molecular Formula C20H15FO3
Exact Mass 322.100523 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID DrIaBTTWPBC
Name 4-Fluorobenzoic acid, 4-benzyloxyphenyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 322.100522503 u
Formula C20H15FO3
InChI InChI=1S/C20H15FO3/c21-17-8-6-16(7-9-17)20(22)24-19-12-10-18(11-13-19)23-14-15-4-2-1-3-5-15/h1-13H,14H2
InChIKey HENSJJMDUPRVGC-UHFFFAOYSA-N
Molecular Weight 322.335 g/mol
SMILES C1=C(C=CC(=C1)C(OC1=CC=C(C=C1)OCC1=CC=CC=C1)=O)F
Spectrum/Structure Validation Score (Vapor Phase IR) 0.830109