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

*Links on SpectraBase are not permalinks.

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

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

Fumaric acid, dodecyl trans-hex-3-enyl ester
SpectraBase Compound ID Emj6Lm7uzl5
InChI InChI=1S/C22H38O4/c1-3-5-7-9-10-11-12-13-14-16-20-26-22(24)18-17-21(23)25-19-15-8-6-4-2/h6,8,17-18H,3-5,7,9-16,19-20H2,1-2H3/b8-6+,18-17+
InChIKey KBZDUHZWYUFGIO-AHZJGFFMSA-N
Mol Weight 366.5 g/mol
Molecular Formula C22H38O4
Exact Mass 366.27701 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 3fnogliX8CV
Name Fumaric acid, dodecyl trans-hex-3-enyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 366.277009700 u
Formula C22H38O4
InChI InChI=1S/C22H38O4/c1-3-5-7-9-10-11-12-13-14-16-20-26-22(24)18-17-21(23)25-19-15-8-6-4-2/h6,8,17-18H,3-5,7,9-16,19-20H2,1-2H3/b8-6+,18-17+
InChIKey KBZDUHZWYUFGIO-AHZJGFFMSA-N
Molecular Weight 366.542 g/mol
SMILES C(OCC\C=C\CC)(\C=C\C(OCCCCCCCCCCCC)=O)=O