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ethyl 4-[(2Z)-2-(benzoylamino)-3-(3,4-dimethoxyphenyl)-2-propenoyl]-1-piperazinecarboxylate
SpectraBase Compound ID DFEQRlD8mgl
InChI InChI=1S/C25H29N3O6/c1-4-34-25(31)28-14-12-27(13-15-28)24(30)20(26-23(29)19-8-6-5-7-9-19)16-18-10-11-21(32-2)22(17-18)33-3/h5-11,16-17H,4,12-15H2,1-3H3,(H,26,29)/b20-16-
InChIKey GHFUZOJVYXCARM-SILNSSARSA-N
Mol Weight 467.52 g/mol
Molecular Formula C25H29N3O6
Exact Mass 467.205636 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DwdPIGSJj9O
Name Ethyl 4-[(2Z)-2-(benzoylamino)-3-(3,4-dimethoxyphenyl)-2-propenoyl]-1-piperazinecarboxylate
Comments Computed using HOSE algorithm
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Exact Mass 467.205635660 u
Formula C25H29N3O6
InChI InChI=1S/C25H29N3O6/c1-4-34-25(31)28-14-12-27(13-15-28)24(30)20(26-23(29)19-8-6-5-7-9-19)16-18-10-11-21(32-2)22(17-18)33-3/h5-11,16-17H,4,12-15H2,1-3H3,(H,26,29)/b20-16-
InChIKey GHFUZOJVYXCARM-SILNSSARSA-N
Molecular Weight 467.522 g/mol
SMILES N(\C(C(N1CCN(CC1)C(=O)OCC)=O)=C/C=1C=C(OC)C(=CC1)OC)C(=O)C1=CC=CC=C1