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ethyl 4-[(2Z)-2-(benzoylamino)-3-(2-chlorophenyl)-2-propenoyl]-1-piperazinecarboxylate
SpectraBase Compound ID A3S9Hgrk4YA
InChI InChI=1S/C23H24ClN3O4/c1-2-31-23(30)27-14-12-26(13-15-27)22(29)20(16-18-10-6-7-11-19(18)24)25-21(28)17-8-4-3-5-9-17/h3-11,16H,2,12-15H2,1H3,(H,25,28)/b20-16-
InChIKey OWAPEDZOTIZZNT-SILNSSARSA-N
Mol Weight 441.92 g/mol
Molecular Formula C23H24ClN3O4
Exact Mass 441.145534 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2OtdXbLsGiZ
Name Ethyl 4-[(2Z)-2-(benzoylamino)-3-(2-chlorophenyl)-2-propenoyl]-1-piperazinecarboxylate
Comments Computed using HOSE algorithm
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Exact Mass 441.145533961 u
Formula C23H24ClN3O4
InChI InChI=1S/C23H24ClN3O4/c1-2-31-23(30)27-14-12-26(13-15-27)22(29)20(16-18-10-6-7-11-19(18)24)25-21(28)17-8-4-3-5-9-17/h3-11,16H,2,12-15H2,1H3,(H,25,28)/b20-16-
InChIKey OWAPEDZOTIZZNT-SILNSSARSA-N
Molecular Weight 441.915 g/mol
SMILES N(\C(C(N1CCN(CC1)C(=O)OCC)=O)=C/C1=C(Cl)C=CC=C1)C(=O)C=1C=CC=CC1