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4-(Benzo[4,5]imidazo[2,1-c][1,2,4]triazin-3-yl)-3-methyl-2-phenyl-2H-pyrazolo[3,4-d]pyridazin-7(6H)-one
SpectraBase Compound ID EBZoQYn2sPu
InChI InChI=1S/C21H14N8O/c1-12-17-18(15-11-28-16-10-6-5-9-14(16)22-21(28)26-23-15)24-25-20(30)19(17)27-29(12)13-7-3-2-4-8-13/h2-11H,1H3,(H,25,30)
InChIKey ZCTCDBMKOFBDFX-UHFFFAOYSA-N
Mol Weight 394.4 g/mol
Molecular Formula C21H14N8O
Exact Mass 394.129057 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GuMpU6NzBuR
Name 4-(Benzo[4,5]imidazo[2,1-c][1,2,4]triazin-3-yl)-3-methyl-2-phenyl-2H-pyrazolo[3,4-d]pyridazin-7(6H)-one
Appearance Yellow solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H14N8O
InChI InChI=1S/C21H14N8O/c1-12-17-18(15-11-28-16-10-6-5-9-14(16)22-21(28)26-23-15)24-25-20(30)19(17)27-29(12)13-7-3-2-4-8-13/h2-11H,1H3,(H,25,30)
InChIKey ZCTCDBMKOFBDFX-UHFFFAOYSA-N
Instrument Name GC??MS QP1000 EX Shimadzu
Ionization Type EI
Literature Reference DOI 10.1002/jhet.3415
Molecular Weight 394.398 g/mol
SMILES N1C(c2n[n](c(c2C(=N1)C1=C[n]2c3ccccc3nc2N=N1)C)-c1ccccc1)=O
SPLASH splash10-03fs-9402000000-1b09211302477ee80b2a
Source of Spectrum Y-56-431-10c
Wiley ID 1859356