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

*Links on SpectraBase are not permalinks.

Sebacic acid, pent-4-en-2-yl pentyl ester

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

Sebacic acid, pent-4-en-2-yl pentyl ester
SpectraBase Compound ID 4m6pqSWJsr8
InChI InChI=1S/C20H36O4/c1-4-6-13-17-23-19(21)15-11-9-7-8-10-12-16-20(22)24-18(3)14-5-2/h5,18H,2,4,6-17H2,1,3H3
InChIKey HKCPBOLULPOOGU-UHFFFAOYSA-N
Mol Weight 340.5 g/mol
Molecular Formula C20H36O4
Exact Mass 340.26136 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 Du2rfJYx4pg
Name Sebacic acid, pent-4-en-2-yl pentyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 340.261359635 u
Formula C20H36O4
InChI InChI=1S/C20H36O4/c1-4-6-13-17-23-19(21)15-11-9-7-8-10-12-16-20(22)24-18(3)14-5-2/h5,18H,2,4,6-17H2,1,3H3
InChIKey HKCPBOLULPOOGU-UHFFFAOYSA-N
Molecular Weight 340.504 g/mol
SMILES C(CCC(OC(C)CC=C)=O)CCCCCC(OCCCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.820984