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N-Cinnamoyl-N-(4-methoxyphenyl)-aminomalonic acid, diethyl ester

View entire compound with spectra: 1 NMR, and 1 FTIR

N-Cinnamoyl-N-(4-methoxyphenyl)-aminomalonic acid, diethyl ester
SpectraBase Compound ID 7fwMvx2jbEs
InChI InChI=1S/C23H25NO6/c1-4-29-22(26)21(23(27)30-5-2)24(18-12-14-19(28-3)15-13-18)20(25)16-11-17-9-7-6-8-10-17/h6-16,21H,4-5H2,1-3H3/b16-11-
InChIKey OWYKLGCZXVBXDF-WJDWOHSUSA-N
Mol Weight 411.45 g/mol
Molecular Formula C23H25NO6
Exact Mass 411.168188 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 75aX3EgH3qe
Name N-Cinnamoyl-N-(4-methoxyphenyl)-aminomalonic acid, diethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 411.168187523 u
Formula C23H25NO6
InChI InChI=1S/C23H25NO6/c1-4-29-22(26)21(23(27)30-5-2)24(18-12-14-19(28-3)15-13-18)20(25)16-11-17-9-7-6-8-10-17/h6-16,21H,4-5H2,1-3H3/b16-11-
InChIKey OWYKLGCZXVBXDF-WJDWOHSUSA-N
Molecular Weight 411.454 g/mol
SMILES COC1=CC=C(C=C1)N(C(C(OCC)=O)C(OCC)=O)C(\C=C/C1=CC=CC=C1)=O