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

*Links on SpectraBase are not permalinks.

Sebacic acid, diisohexyl ester

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

Sebacic acid, diisohexyl ester
SpectraBase Compound ID 3wMNoynCpiN
InChI InChI=1S/C22H42O4/c1-19(2)13-11-17-25-21(23)15-9-7-5-6-8-10-16-22(24)26-18-12-14-20(3)4/h19-20H,5-18H2,1-4H3
InChIKey ZAWFOIKMHASSJG-UHFFFAOYSA-N
Mol Weight 370.6 g/mol
Molecular Formula C22H42O4
Exact Mass 370.30831 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 1XFM5FyuKqQ
Name Sebacic acid, diisohexyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 370.308309828 u
Formula C22H42O4
InChI InChI=1S/C22H42O4/c1-19(2)13-11-17-25-21(23)15-9-7-5-6-8-10-16-22(24)26-18-12-14-20(3)4/h19-20H,5-18H2,1-4H3
InChIKey ZAWFOIKMHASSJG-UHFFFAOYSA-N
Molecular Weight 370.574 g/mol
SMILES C(CCCCCC(OCCCC(C)C)=O)CCC(OCCCC(C)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.973719