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

View entire compound with spectra: 1 NMR

Fumaric acid, monoamide, N,N-dinonyl-, isohexyl ester
SpectraBase Compound ID 3cOAEK1ZEoj
InChI InChI=1S/C28H53NO3/c1-5-7-9-11-13-15-17-23-29(24-18-16-14-12-10-8-6-2)27(30)21-22-28(31)32-25-19-20-26(3)4/h21-22,26H,5-20,23-25H2,1-4H3/b22-21+
InChIKey YHKHEYMVENQXIU-QURGRASLSA-N
Mol Weight 451.7 g/mol
Molecular Formula C28H53NO3
Exact Mass 451.402545 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID D32JUAC8MZb
Name Fumaric acid, monoamide, N,N-dinonyl-, isohexyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 451.402544568 u
Formula C28H53NO3
InChI InChI=1S/C28H53NO3/c1-5-7-9-11-13-15-17-23-29(24-18-16-14-12-10-8-6-2)27(30)21-22-28(31)32-25-19-20-26(3)4/h21-22,26H,5-20,23-25H2,1-4H3/b22-21+
InChIKey YHKHEYMVENQXIU-QURGRASLSA-N
Molecular Weight 451.736 g/mol
SMILES C(CCCCN(C(\C=C\C(OCCCC(C)C)=O)=O)CCCCCCCCC)CCCC