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

*Links on SpectraBase are not permalinks.

Fumaric acid, monoamide, N-(2-ethylphenyl)-, octyl ester

View entire compound with spectra: 1 NMR

Fumaric acid, monoamide, N-(2-ethylphenyl)-, octyl ester
SpectraBase Compound ID IIPXZCRJKjI
InChI InChI=1S/C20H29NO3/c1-3-5-6-7-8-11-16-24-20(23)15-14-19(22)21-18-13-10-9-12-17(18)4-2/h9-10,12-15H,3-8,11,16H2,1-2H3,(H,21,22)/b15-14+
InChIKey XBQICDQMSJVBMZ-CCEZHUSRSA-N
Mol Weight 331.46 g/mol
Molecular Formula C20H29NO3
Exact Mass 331.214744 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 5l6aRgMxLJW
Name Fumaric acid, monoamide, N-(2-ethylphenyl)-, octyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 331.214743795 u
Formula C20H29NO3
InChI InChI=1S/C20H29NO3/c1-3-5-6-7-8-11-16-24-20(23)15-14-19(22)21-18-13-10-9-12-17(18)4-2/h9-10,12-15H,3-8,11,16H2,1-2H3,(H,21,22)/b15-14+
InChIKey XBQICDQMSJVBMZ-CCEZHUSRSA-N
Molecular Weight 331.456 g/mol
SMILES CCCCCCCCOC(\C=C\C(NC1=CC=CC=C1CC)=O)=O