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Fumaric acid, octyl pent-4-enyl ester

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

Fumaric acid, octyl pent-4-enyl ester
SpectraBase Compound ID 6lVchJELpy8
InChI InChI=1S/C17H28O4/c1-3-5-7-8-9-11-15-21-17(19)13-12-16(18)20-14-10-6-4-2/h4,12-13H,2-3,5-11,14-15H2,1H3/b13-12+
InChIKey KBNAFOHVDNHYOS-OUKQBFOZSA-N
Mol Weight 296.41 g/mol
Molecular Formula C17H28O4
Exact Mass 296.198759 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID IOkgw4Ujkl6
Name Fumaric acid, octyl pent-4-enyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 296.198759378 u
Formula C17H28O4
InChI InChI=1S/C17H28O4/c1-3-5-7-8-9-11-15-21-17(19)13-12-16(18)20-14-10-6-4-2/h4,12-13H,2-3,5-11,14-15H2,1H3/b13-12+
InChIKey KBNAFOHVDNHYOS-OUKQBFOZSA-N
Molecular Weight 296.407 g/mol
SMILES C(\C=C\C(OCCCCCCCC)=O)(OCCCC=C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.836555