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4-Methoxyphenylacetic acid, pentafluorobenzyl ester

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

4-Methoxyphenylacetic acid, pentafluorobenzyl ester
SpectraBase Compound ID 9lxLB7sIzdH
InChI InChI=1S/C16H11F5O3/c1-23-9-4-2-8(3-5-9)6-11(22)24-7-10-12(17)14(19)16(21)15(20)13(10)18/h2-5H,6-7H2,1H3
InChIKey OAIPVQJTMRCFCO-UHFFFAOYSA-N
Mol Weight 346.25 g/mol
Molecular Formula C16H11F5O3
Exact Mass 346.062835 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Fj58TZi3qYo
Name 4-Methoxyphenylacetic acid, pentafluorobenzyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 346.062835026 u
Formula C16H11F5O3
InChI InChI=1S/C16H11F5O3/c1-23-9-4-2-8(3-5-9)6-11(22)24-7-10-12(17)14(19)16(21)15(20)13(10)18/h2-5H,6-7H2,1H3
InChIKey OAIPVQJTMRCFCO-UHFFFAOYSA-N
Molecular Weight 346.253 g/mol
SMILES C1=CC(=CC=C1OC)CC(OCC1=C(C(=C(C(=C1F)F)F)F)F)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.936631