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

View entire compound with spectra: 1 NMR

Fumaric acid, monoamide, N,N-dioctyl-, isobutyl ester
SpectraBase Compound ID 8GKpWywrUX2
InChI InChI=1S/C24H45NO3/c1-5-7-9-11-13-15-19-25(20-16-14-12-10-8-6-2)23(26)17-18-24(27)28-21-22(3)4/h17-18,22H,5-16,19-21H2,1-4H3/b18-17+
InChIKey DEXRRLSEHNWFOL-ISLYRVAYSA-N
Mol Weight 395.6 g/mol
Molecular Formula C24H45NO3
Exact Mass 395.339944 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7aED4GvxuDq
Name Fumaric acid, monoamide, N,N-dioctyl-, isobutyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 395.339944310 u
Formula C24H45NO3
InChI InChI=1S/C24H45NO3/c1-5-7-9-11-13-15-19-25(20-16-14-12-10-8-6-2)23(26)17-18-24(27)28-21-22(3)4/h17-18,22H,5-16,19-21H2,1-4H3/b18-17+
InChIKey DEXRRLSEHNWFOL-ISLYRVAYSA-N
Molecular Weight 395.628 g/mol
SMILES CC(C)COC(\C=C\C(N(CCCCCCCC)CCCCCCCC)=O)=O