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Terephthalic acid, dec-4-enyl hexyl ester

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

Terephthalic acid, dec-4-enyl hexyl ester
SpectraBase Compound ID 7acuJL3EdfF
InChI InChI=1S/C24H36O4/c1-3-5-7-9-10-11-12-14-20-28-24(26)22-17-15-21(16-18-22)23(25)27-19-13-8-6-4-2/h10-11,15-18H,3-9,12-14,19-20H2,1-2H3/b11-10+
InChIKey CCDQJECWSSELAZ-ZHACJKMWSA-N
Mol Weight 388.5 g/mol
Molecular Formula C24H36O4
Exact Mass 388.26136 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID AGh0ENBJcCr
Name Terephthalic acid, dec-4-enyl hexyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 388.261359635 u
Formula C24H36O4
InChI InChI=1S/C24H36O4/c1-3-5-7-9-10-11-12-14-20-28-24(26)22-17-15-21(16-18-22)23(25)27-19-13-8-6-4-2/h10-11,15-18H,3-9,12-14,19-20H2,1-2H3/b11-10+
InChIKey CCDQJECWSSELAZ-ZHACJKMWSA-N
Molecular Weight 388.548 g/mol
SMILES C1(=CC=C(C=C1)C(OCCCCCC)=O)C(OCCC\C=C\CCCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.971836