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

*Links on SpectraBase are not permalinks.

Sebacic acid, butyl isohexyl ester

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

Sebacic acid, butyl isohexyl ester
SpectraBase Compound ID DGxCrG9QDHR
InChI InChI=1S/C20H38O4/c1-4-5-16-23-19(21)14-10-8-6-7-9-11-15-20(22)24-17-12-13-18(2)3/h18H,4-17H2,1-3H3
InChIKey KYECAJNOYAYGSA-UHFFFAOYSA-N
Mol Weight 342.5 g/mol
Molecular Formula C20H38O4
Exact Mass 342.27701 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 CkhfQR2sbMQ
Name Sebacic acid, butyl isohexyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 342.277009700 u
Formula C20H38O4
InChI InChI=1S/C20H38O4/c1-4-5-16-23-19(21)14-10-8-6-7-9-11-15-20(22)24-17-12-13-18(2)3/h18H,4-17H2,1-3H3
InChIKey KYECAJNOYAYGSA-UHFFFAOYSA-N
Molecular Weight 342.520 g/mol
SMILES C(CCCCCC(OCCCC(C)C)=O)CCC(OCCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.959237