For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

Terephthalic acid, isohexyl isopropyl ester

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

Terephthalic acid, isohexyl isopropyl ester
SpectraBase Compound ID JCk5Kq5gAgf
InChI InChI=1S/C17H24O4/c1-12(2)6-5-11-20-16(18)14-7-9-15(10-8-14)17(19)21-13(3)4/h7-10,12-13H,5-6,11H2,1-4H3
InChIKey ZEFCZHICHLAKPZ-UHFFFAOYSA-N
Mol Weight 292.38 g/mol
Molecular Formula C17H24O4
Exact Mass 292.167459 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID LA9CL8FwYcg
Name Terephthalic acid, isohexyl isopropyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 292.167459249 u
Formula C17H24O4
InChI InChI=1S/C17H24O4/c1-12(2)6-5-11-20-16(18)14-7-9-15(10-8-14)17(19)21-13(3)4/h7-10,12-13H,5-6,11H2,1-4H3
InChIKey ZEFCZHICHLAKPZ-UHFFFAOYSA-N
SMILES C1=CC(=CC=C1C(OCCCC(C)C)=O)C(OC(C)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.832815