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Fumaric acid, butyl cis-non-3-enyl ester

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

Fumaric acid, butyl cis-non-3-enyl ester
SpectraBase Compound ID 8A1YQDIscab
InChI InChI=1S/C17H28O4/c1-3-5-7-8-9-10-11-15-21-17(19)13-12-16(18)20-14-6-4-2/h9-10,12-13H,3-8,11,14-15H2,1-2H3/b10-9-,13-12+
InChIKey SARAGQQFJDOTAT-WBVBYKIGSA-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 LGowXoA7Ci0
Name Fumaric acid, butyl cis-non-3-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/c1-3-5-7-8-9-10-11-15-21-17(19)13-12-16(18)20-14-6-4-2/h9-10,12-13H,3-8,11,14-15H2,1-2H3/b10-9-,13-12+
InChIKey SARAGQQFJDOTAT-WBVBYKIGSA-N
Molecular Weight 296.407 g/mol
SMILES C(\C=C\C(OCCCC)=O)(OCC\C=C/CCCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.874698