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

*Links on SpectraBase are not permalinks.

Isophthalic acid, 2-ethylhexyl propyl ester

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

Isophthalic acid, 2-ethylhexyl propyl ester
SpectraBase Compound ID IzGUZo0s4vB
InChI InChI=1S/C19H28O4/c1-4-7-9-15(6-3)14-23-19(21)17-11-8-10-16(13-17)18(20)22-12-5-2/h8,10-11,13,15H,4-7,9,12,14H2,1-3H3
InChIKey IXENKEPFBKQJMW-UHFFFAOYSA-N
Mol Weight 320.43 g/mol
Molecular Formula C19H28O4
Exact Mass 320.198759 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 B2fEk6jL6aT
Name Isophthalic acid, 2-ethylhexyl propyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 320.198759378 u
Formula C19H28O4
InChI InChI=1S/C19H28O4/c1-4-7-9-15(6-3)14-23-19(21)17-11-8-10-16(13-17)18(20)22-12-5-2/h8,10-11,13,15H,4-7,9,12,14H2,1-3H3
InChIKey IXENKEPFBKQJMW-UHFFFAOYSA-N
Molecular Weight 320.429 g/mol
SMILES CCCOC(C=1C=C(C(OCC(CCCC)CC)=O)C=CC1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.957693