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

View entire compound with spectra: 1 NMR

Fumaric acid, monoamide, N,N-diheptyl-, hexyl ester
SpectraBase Compound ID DWetInQLhEe
InChI InChI=1S/C24H45NO3/c1-4-7-10-13-15-20-25(21-16-14-11-8-5-2)23(26)18-19-24(27)28-22-17-12-9-6-3/h18-19H,4-17,20-22H2,1-3H3/b19-18+
InChIKey DTFJPCCPQNIBAU-VHEBQXMUSA-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 5lMhMTQdwW4
Name Fumaric acid, monoamide, N,N-diheptyl-, hexyl ester
Comments Computed using HOSE algorithm
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Exact Mass 395.339944310 u
Formula C24H45NO3
InChI InChI=1S/C24H45NO3/c1-4-7-10-13-15-20-25(21-16-14-11-8-5-2)23(26)18-19-24(27)28-22-17-12-9-6-3/h18-19H,4-17,20-22H2,1-3H3/b19-18+
InChIKey DTFJPCCPQNIBAU-VHEBQXMUSA-N
Molecular Weight 395.628 g/mol
SMILES C(CCN(C(\C=C\C(OCCCCCC)=O)=O)CCCCCCC)CCCC