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

View entire compound with spectra: 1 NMR

Fumaric acid, monoamide, N,N-dioctyl-, hexyl ester
SpectraBase Compound ID FBj8wNfpBg
InChI InChI=1S/C26H49NO3/c1-4-7-10-13-15-17-22-27(23-18-16-14-11-8-5-2)25(28)20-21-26(29)30-24-19-12-9-6-3/h20-21H,4-19,22-24H2,1-3H3/b21-20+
InChIKey LZIGHJJNSCXMPJ-QZQOTICOSA-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

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SpectraBase Spectrum ID AKL8PXPtChl
Name Fumaric acid, monoamide, N,N-dioctyl-, hexyl 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/c1-4-7-10-13-15-17-22-27(23-18-16-14-11-8-5-2)25(28)20-21-26(29)30-24-19-12-9-6-3/h20-21H,4-19,22-24H2,1-3H3/b21-20+
InChIKey LZIGHJJNSCXMPJ-QZQOTICOSA-N
Molecular Weight 423.682 g/mol
SMILES C(\C=C\C(N(CCCCCCCC)CCCCCCCC)=O)(OCCCCCC)=O