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Terephthalic acid, hexyl phenyl ester

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

Terephthalic acid, hexyl phenyl ester
SpectraBase Compound ID KHHDPoedqR6
InChI InChI=1S/C20H22O4/c1-2-3-4-8-15-23-19(21)16-11-13-17(14-12-16)20(22)24-18-9-6-5-7-10-18/h5-7,9-14H,2-4,8,15H2,1H3
InChIKey CJFKPNMFEABVHJ-UHFFFAOYSA-N
Mol Weight 326.39 g/mol
Molecular Formula C20H22O4
Exact Mass 326.151809 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 29AtCY78cdw
Name Terephthalic acid, hexyl phenyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 326.151809184 u
Formula C20H22O4
InChI InChI=1S/C20H22O4/c1-2-3-4-8-15-23-19(21)16-11-13-17(14-12-16)20(22)24-18-9-6-5-7-10-18/h5-7,9-14H,2-4,8,15H2,1H3
InChIKey CJFKPNMFEABVHJ-UHFFFAOYSA-N
Molecular Weight 326.392 g/mol
SMILES CCCCCCOC(=O)C1=CC=C(C=C1)C(=O)OC1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.800975