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4-(Benzo[4,5]imidazo[2,1-c][1,2,4]triazin-3-yl)-2-(4-methoxyphenyl)-3-methyl-2H-pyrazolo[3,4-d]pyridazin-7(6H)-one
SpectraBase Compound ID BpAZpDYtdBZ
InChI InChI=1S/C22H16N8O2/c1-12-18-19(16-11-29-17-6-4-3-5-15(17)23-22(29)27-24-16)25-26-21(31)20(18)28-30(12)13-7-9-14(32-2)10-8-13/h3-11H,1-2H3,(H,26,31)
InChIKey CEZIZSJFPAVBCJ-UHFFFAOYSA-N
Mol Weight 424.42 g/mol
Molecular Formula C22H16N8O2
Exact Mass 424.139622 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5lzlm1k5frq
Name 4-(Benzo[4,5]imidazo[2,1-c][1,2,4]triazin-3-yl)-2-(4-methoxyphenyl)-3-methyl-2H-pyrazolo[3,4-d]pyridazin-7(6H)-one
Appearance Yellow solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H16N8O2
InChI InChI=1S/C22H16N8O2/c1-12-18-19(16-11-29-17-6-4-3-5-15(17)23-22(29)27-24-16)25-26-21(31)20(18)28-30(12)13-7-9-14(32-2)10-8-13/h3-11H,1-2H3,(H,26,31)
InChIKey CEZIZSJFPAVBCJ-UHFFFAOYSA-N
Instrument Name GC??MS QP1000 EX Shimadzu
Ionization Type EI
Literature Reference DOI 10.1002/jhet.3415
Molecular Weight 424.424 g/mol
SMILES N1C(c2n[n](c(c2C(=N1)C1=C[n]2c3ccccc3nc2N=N1)C)-c1ccc(OC)cc1)=O
SPLASH splash10-03kc-9210100000-d60b6b9c5a2ae0269186
Source of Spectrum Y-56-431-10a
Wiley ID 1859354