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4-(Benzo[4,5]imidazo[2,1-c][1,2,4]triazin-3-yl)-3-methyl-2-(p-tolyl)-2H-pyrazolo[3,4-d]-pyridazin-7(6H)-one
SpectraBase Compound ID D5GhGywUzx2
InChI InChI=1S/C22H16N8O/c1-12-7-9-14(10-8-12)30-13(2)18-19(25-26-21(31)20(18)28-30)16-11-29-17-6-4-3-5-15(17)23-22(29)27-24-16/h3-11H,1-2H3,(H,26,31)
InChIKey VAGMDYHSOMGTFP-UHFFFAOYSA-N
Mol Weight 408.43 g/mol
Molecular Formula C22H16N8O
Exact Mass 408.144707 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AVhzTTy6cVP
Name 4-(Benzo[4,5]imidazo[2,1-c][1,2,4]triazin-3-yl)-3-methyl-2-(p-tolyl)-2H-pyrazolo[3,4-d]-pyridazin-7(6H)-one
Appearance Yellow solid
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H16N8O
InChI InChI=1S/C22H16N8O/c1-12-7-9-14(10-8-12)30-13(2)18-19(25-26-21(31)20(18)28-30)16-11-29-17-6-4-3-5-15(17)23-22(29)27-24-16/h3-11H,1-2H3,(H,26,31)
InChIKey VAGMDYHSOMGTFP-UHFFFAOYSA-N
Instrument Name GC??MS QP1000 EX Shimadzu
Ionization Type EI
Literature Reference DOI 10.1002/jhet.3415
Molecular Weight 408.425 g/mol
SMILES N1C(c2n[n](c(c2C(=N1)C1=C[n]2c3ccccc3nc2N=N1)C)-c1ccc(C)cc1)=O
SPLASH splash10-08fr-9020400000-5f7e530adfbdea5a4bb0
Source of Spectrum Y-56-431-10b
Wiley ID 1859355