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

*Links on SpectraBase are not permalinks.

Fumaric acid, hexadecyl 2-methylpentyl ester

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

Fumaric acid, hexadecyl 2-methylpentyl ester
SpectraBase Compound ID HE7DQMSvR5
InChI InChI=1S/C26H48O4/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-22-29-25(27)20-21-26(28)30-23-24(3)19-5-2/h20-21,24H,4-19,22-23H2,1-3H3/b21-20+
InChIKey QPBDGPJSTQEQOR-QZQOTICOSA-N
Mol Weight 424.7 g/mol
Molecular Formula C26H48O4
Exact Mass 424.35526 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 JTFggcFQVeD
Name Fumaric acid, hexadecyl 2-methylpentyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 424.355260022 u
Formula C26H48O4
InChI InChI=1S/C26H48O4/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-22-29-25(27)20-21-26(28)30-23-24(3)19-5-2/h20-21,24H,4-19,22-23H2,1-3H3/b21-20+
InChIKey QPBDGPJSTQEQOR-QZQOTICOSA-N
Molecular Weight 424.666 g/mol
SMILES C(OCC(C)CCC)(\C=C\C(OCCCCCCCCCCCCCCCC)=O)=O