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

*Links on SpectraBase are not permalinks.

Fumaric acid, monoamide, N,N-dioctyl-, isohexyl ester

View entire compound with spectra: 1 NMR

Fumaric acid, monoamide, N,N-dioctyl-, isohexyl ester
SpectraBase Compound ID Bb49gn6qKtU
InChI InChI=1S/C26H49NO3/c1-5-7-9-11-13-15-21-27(22-16-14-12-10-8-6-2)25(28)19-20-26(29)30-23-17-18-24(3)4/h19-20,24H,5-18,21-23H2,1-4H3/b20-19+
InChIKey GFOIJEULMHVYLD-FMQUCBEESA-N
Mol Weight 423.7 g/mol
Molecular Formula C26H49NO3
Exact Mass 423.371244 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 E6E83ybPfIj
Name Fumaric acid, monoamide, N,N-dioctyl-, isohexyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 423.371244439 u
Formula C26H49NO3
InChI InChI=1S/C26H49NO3/c1-5-7-9-11-13-15-21-27(22-16-14-12-10-8-6-2)25(28)19-20-26(29)30-23-17-18-24(3)4/h19-20,24H,5-18,21-23H2,1-4H3/b20-19+
InChIKey GFOIJEULMHVYLD-FMQUCBEESA-N
Molecular Weight 423.682 g/mol
SMILES C(\C=C\C(N(CCCCCCCC)CCCCCCCC)=O)(OCCCC(C)C)=O