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4-{[p-(Diethylamino)phenyl]imino}-1-(p-nitrophenyl)-3-phenyl-2-pyrazolin-5-one
SpectraBase Compound ID 68bbVx0E4YX
InChI InChI=1S/C25H23N5O3/c1-3-28(4-2)20-12-10-19(11-13-20)26-24-23(18-8-6-5-7-9-18)27-29(25(24)31)21-14-16-22(17-15-21)30(32)33/h5-17H,3-4H2,1-2H3/b26-24+
InChIKey DFICMFXNOMFDLR-SHHOIMCASA-N
Mol Weight 441.49 g/mol
Molecular Formula C25H23N5O3
Exact Mass 441.18009 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 42ibt3AuUCX
Name 4-{[p-(Diethylamino)phenyl]imino}-1-(p-nitrophenyl)-3-phenyl-2-pyrazolin-5-one
Comments Computed using HOSE algorithm
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Exact Mass 441.180089618 u
Formula C25H23N5O3
InChI InChI=1S/C25H23N5O3/c1-3-28(4-2)20-12-10-19(11-13-20)26-24-23(18-8-6-5-7-9-18)27-29(25(24)31)21-14-16-22(17-15-21)30(32)33/h5-17H,3-4H2,1-2H3/b26-24+
InChIKey DFICMFXNOMFDLR-SHHOIMCASA-N
Molecular Weight 441.491 g/mol
SMILES CCN(C=1C=CC(=CC1)\N=C/1C(=NN(C1=O)C1=CC=C(C=C1)N(=O)=O)C1=CC=CC=C1)CC