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2-(4-Bromo-phenyl)-5,7-diphenyl-2,5-dihydro-pyrazolo[3,4-D]pyridazin-4-one
SpectraBase Compound ID 6MY2VOnaLm1
InChI InChI=1S/C23H15BrN4O/c24-17-11-13-18(14-12-17)27-15-20-22(25-27)21(16-7-3-1-4-8-16)26-28(23(20)29)19-9-5-2-6-10-19/h1-15H
InChIKey SNFOXCZRABANIB-UHFFFAOYSA-N
Mol Weight 443.3 g/mol
Molecular Formula C23H15BrN4O
Exact Mass 442.042924 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EetAfwmv6B2
Name 2-(4-Bromo-phenyl)-5,7-diphenyl-2,5-dihydro-pyrazolo[3,4-D]pyridazin-4-one
Comments Computed using HOSE algorithm
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Exact Mass 442.042924118 u
Formula C23H15BrN4O
InChI InChI=1S/C23H15BrN4O/c24-17-11-13-18(14-12-17)27-15-20-22(25-27)21(16-7-3-1-4-8-16)26-28(23(20)29)19-9-5-2-6-10-19/h1-15H
InChIKey SNFOXCZRABANIB-UHFFFAOYSA-N
Molecular Weight 443.304 g/mol
SMILES C1(=NN(C(C=2C1=NN(C2)C1=CC=C(C=C1)Br)=O)C1=CC=CC=C1)C1=CC=CC=C1