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Fumaric acid, monoamide, N,N-dihexyl-, heptyl ester

View entire compound with spectra: 1 NMR

Fumaric acid, monoamide, N,N-dihexyl-, heptyl ester
SpectraBase Compound ID 2JWSzq9lceV
InChI InChI=1S/C23H43NO3/c1-4-7-10-13-16-21-27-23(26)18-17-22(25)24(19-14-11-8-5-2)20-15-12-9-6-3/h17-18H,4-16,19-21H2,1-3H3/b18-17+
InChIKey QVPDCFDTDRYHRE-ISLYRVAYSA-N
Mol Weight 381.6 g/mol
Molecular Formula C23H43NO3
Exact Mass 381.324294 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID nBqTUE45nT
Name Fumaric acid, monoamide, N,N-dihexyl-, heptyl ester
Comments Computed using HOSE algorithm
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Exact Mass 381.324294246 u
Formula C23H43NO3
InChI InChI=1S/C23H43NO3/c1-4-7-10-13-16-21-27-23(26)18-17-22(25)24(19-14-11-8-5-2)20-15-12-9-6-3/h17-18H,4-16,19-21H2,1-3H3/b18-17+
InChIKey QVPDCFDTDRYHRE-ISLYRVAYSA-N
Molecular Weight 381.601 g/mol
SMILES C(CCN(C(\C=C\C(OCCCCCCC)=O)=O)CCCCCC)CCC