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Terephthalic acid, but-2-enyl pentyl ester

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

Terephthalic acid, but-2-enyl pentyl ester
SpectraBase Compound ID DXQtbrtzU8s
InChI InChI=1S/C17H22O4/c1-3-5-7-13-21-17(19)15-10-8-14(9-11-15)16(18)20-12-6-4-2/h4,6,8-11H,3,5,7,12-13H2,1-2H3/b6-4+
InChIKey WOKPHQWITPNKIN-GQCTYLIASA-N
Mol Weight 290.36 g/mol
Molecular Formula C17H22O4
Exact Mass 290.151809 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 739ytn6tVMa
Name Terephthalic acid, but-2-enyl pentyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 290.151809184 u
Formula C17H22O4
InChI InChI=1S/C17H22O4/c1-3-5-7-13-21-17(19)15-10-8-14(9-11-15)16(18)20-12-6-4-2/h4,6,8-11H,3,5,7,12-13H2,1-2H3/b6-4+
InChIKey WOKPHQWITPNKIN-GQCTYLIASA-N
SMILES C1=CC(=CC=C1C(OCCCCC)=O)C(OC\C=C\C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.936809