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1-(4'-Nitrophenyl)-4-(4"-N,N-dimethylaminophenyl)imino-3-phenyl-4,5-dihydro-5-oxopyrazole
SpectraBase Compound ID AB2J9m8RAy2
InChI InChI=1S/C23H19N5O3/c1-26(2)18-10-8-17(9-11-18)24-22-21(16-6-4-3-5-7-16)25-27(23(22)29)19-12-14-20(15-13-19)28(30)31/h3-15H,1-2H3/b24-22-
InChIKey CABLRVSLWYIZNJ-GYHWCHFESA-N
Mol Weight 413.44 g/mol
Molecular Formula C23H19N5O3
Exact Mass 413.148789 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KTuNTy6rv5
Name 1-(4'-Nitrophenyl)-4-(4''-N,N-dimethylaminophenyl)imino-3-phenyl-4,5-dihydro-5-oxopyrazole
Comments Computed using HOSE algorithm
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Exact Mass 413.148789489 u
Formula C23H19N5O3
InChI InChI=1S/C23H19N5O3/c1-26(2)18-10-8-17(9-11-18)24-22-21(16-6-4-3-5-7-16)25-27(23(22)29)19-12-14-20(15-13-19)28(30)31/h3-15H,1-2H3/b24-22-
InChIKey CABLRVSLWYIZNJ-GYHWCHFESA-N
Molecular Weight 413.437 g/mol
SMILES C1(\C(C(=NN1C=1C=CC(N(=O)=O)=CC1)C1=CC=CC=C1)=N/C=1C=CC(=CC1)N(C)C)=O