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

*Links on SpectraBase are not permalinks.

Fumaric acid, 2-ethylhexyl pentyl ster

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

Fumaric acid, 2-ethylhexyl pentyl ster
SpectraBase Compound ID Cutwjer344e
InChI InChI=1S/C17H30O4/c1-4-7-9-13-20-16(18)11-12-17(19)21-14-15(6-3)10-8-5-2/h11-12,15H,4-10,13-14H2,1-3H3/b12-11+
InChIKey IGRXHUOTURKESS-VAWYXSNFSA-N
Mol Weight 298.42 g/mol
Molecular Formula C17H30O4
Exact Mass 298.214409 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 GGsgG0tHOSz
Name Fumaric acid, 2-ethylhexyl pentyl ster
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 298.214409442 u
Formula C17H30O4
InChI InChI=1S/C17H30O4/c1-4-7-9-13-20-16(18)11-12-17(19)21-14-15(6-3)10-8-5-2/h11-12,15H,4-10,13-14H2,1-3H3/b12-11+
InChIKey IGRXHUOTURKESS-VAWYXSNFSA-N
SMILES C(\C=C\C(OCC(CCCC)CC)=O)(OCCCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.986736