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

*Links on SpectraBase are not permalinks.

Fumaric acid, pentadecyl trans-hex-3-enyl ester

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

Fumaric acid, pentadecyl trans-hex-3-enyl ester
SpectraBase Compound ID 5c07vt32KCA
InChI InChI=1S/C25H44O4/c1-3-5-7-9-10-11-12-13-14-15-16-17-19-23-29-25(27)21-20-24(26)28-22-18-8-6-4-2/h6,8,20-21H,3-5,7,9-19,22-23H2,1-2H3/b8-6+,21-20+
InChIKey QVFWFVMMAAFYLT-GIWBTWJXSA-N
Mol Weight 408.6 g/mol
Molecular Formula C25H44O4
Exact Mass 408.32396 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 4L0vcwbFRAF
Name Fumaric acid, pentadecyl trans-hex-3-enyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 408.323959893 u
Formula C25H44O4
InChI InChI=1S/C25H44O4/c1-3-5-7-9-10-11-12-13-14-15-16-17-19-23-29-25(27)21-20-24(26)28-22-18-8-6-4-2/h6,8,20-21H,3-5,7,9-19,22-23H2,1-2H3/b8-6+,21-20+
InChIKey QVFWFVMMAAFYLT-GIWBTWJXSA-N
Molecular Weight 408.623 g/mol
SMILES C(OCC\C=C\CC)(\C=C\C(OCCCCCCCCCCCCCCC)=O)=O