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Fumaric acid, monoamide, N-benzyl-N-phenylethyl-, pentyl ester
SpectraBase Compound ID LPnAb5vvJBt
InChI InChI=1S/C24H29NO3/c1-2-3-10-19-28-24(27)16-15-23(26)25(20-22-13-8-5-9-14-22)18-17-21-11-6-4-7-12-21/h4-9,11-16H,2-3,10,17-20H2,1H3/b16-15+
InChIKey ZVZQSVBJKKGLMU-FOCLMDBBSA-N
Mol Weight 379.5 g/mol
Molecular Formula C24H29NO3
Exact Mass 379.214744 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JIh9OGM9HYu
Name Fumaric acid, monoamide, N-benzyl-N-phenylethyl-, pentyl ester
Comments Computed using HOSE algorithm
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Exact Mass 379.214743795 u
Formula C24H29NO3
InChI InChI=1S/C24H29NO3/c1-2-3-10-19-28-24(27)16-15-23(26)25(20-22-13-8-5-9-14-22)18-17-21-11-6-4-7-12-21/h4-9,11-16H,2-3,10,17-20H2,1H3/b16-15+
InChIKey ZVZQSVBJKKGLMU-FOCLMDBBSA-N
Molecular Weight 379.500 g/mol
SMILES C(\C=C\C(OCCCCC)=O)(N(CCC1=CC=CC=C1)CC1=CC=CC=C1)=O