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

*Links on SpectraBase are not permalinks.

Fumaric acid, 2,4-dimethylpent-3-yl dodecyl ester

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

Fumaric acid, 2,4-dimethylpent-3-yl dodecyl ester
SpectraBase Compound ID KaoBj0Vr9eV
InChI InChI=1S/C23H42O4/c1-6-7-8-9-10-11-12-13-14-15-18-26-21(24)16-17-22(25)27-23(19(2)3)20(4)5/h16-17,19-20,23H,6-15,18H2,1-5H3/b17-16+
InChIKey NFBDXHSNOZVHAM-WUKNDPDISA-N
Mol Weight 382.6 g/mol
Molecular Formula C23H42O4
Exact Mass 382.30831 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 JRzCwuJ29E8
Name Fumaric acid, 2,4-dimethylpent-3-yl dodecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 382.308309828 u
Formula C23H42O4
InChI InChI=1S/C23H42O4/c1-6-7-8-9-10-11-12-13-14-15-18-26-21(24)16-17-22(25)27-23(19(2)3)20(4)5/h16-17,19-20,23H,6-15,18H2,1-5H3/b17-16+
InChIKey NFBDXHSNOZVHAM-WUKNDPDISA-N
Molecular Weight 382.585 g/mol
SMILES C(OC(C(C)C)C(C)C)(\C=C\C(OCCCCCCCCCCCC)=O)=O