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3-Amino-4,5-bis(p-biphenyl)-1H-pyrazolo[3,4-c]pyridazine
SpectraBase Compound ID H4skMSlJZTJ
InChI InChI=1S/C29H21N5/c30-28-26-25(23-15-11-21(12-16-23)19-7-3-1-4-8-19)27(31-33-29(26)34-32-28)24-17-13-22(14-18-24)20-9-5-2-6-10-20/h1-18H,(H3,30,32,33,34)
InChIKey KQMSZRUMQWJYMW-UHFFFAOYSA-N
Mol Weight 439.52 g/mol
Molecular Formula C29H21N5
Exact Mass 439.179696 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3Iqevkuxa0w
Name 3-Amino-4,5-bis(p-biphenyl)-1H-pyrazolo[3,4-c]pyridazine
Comments Less than 3 mono-isotopic peaks
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Formula C29H21N5
InChI InChI=1S/C29H21N5/c30-28-26-25(23-15-11-21(12-16-23)19-7-3-1-4-8-19)27(31-33-29(26)34-32-28)24-17-13-22(14-18-24)20-9-5-2-6-10-20/h1-18H,(H3,30,32,33,34)
InChIKey KQMSZRUMQWJYMW-UHFFFAOYSA-N
Molecular Weight 439.522 g/mol
SMILES [nH]1nc(c2c(c(-c3ccc(cc3)-c3ccccc3)nnc12)-c1ccc(cc1)-c1ccccc1)N
SPLASH splash10-000i-0002900000-ccf8ccd07cf54100c207
Source of Spectrum AF-48-6850-1b
Synonyms 4,5-bis(4-phenylphenyl)-2H-pyrazolo[3,4-c]pyridazin-3-amine
Wiley ID 1694024