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

*Links on SpectraBase are not permalinks.

Isophthalic acid, 2-ethylbutyl pentyl ester

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

Isophthalic acid, 2-ethylbutyl pentyl ester
SpectraBase Compound ID 4RCIhDTj1xg
InChI InChI=1S/C19H28O4/c1-4-7-8-12-22-18(20)16-10-9-11-17(13-16)19(21)23-14-15(5-2)6-3/h9-11,13,15H,4-8,12,14H2,1-3H3
InChIKey WFELLRXGWXMNGG-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 ERNjgN3ZA46
Name Isophthalic acid, 2-ethylbutyl pentyl 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/c1-4-7-8-12-22-18(20)16-10-9-11-17(13-16)19(21)23-14-15(5-2)6-3/h9-11,13,15H,4-8,12,14H2,1-3H3
InChIKey WFELLRXGWXMNGG-UHFFFAOYSA-N
Molecular Weight 320.429 g/mol
SMILES C1(=CC=CC(=C1)C(=O)OCCCCC)C(OCC(CC)CC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.930065