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4-(Benzo[4,5]imidazo[2,1-c][1,2,4]triazin-3-yl)-2-(4-chlorophenyl)-3-methyl-2H-pyrazolo[3,4-d]pyridazin-7(6H)-one
SpectraBase Compound ID Ep6Lk3EFwq6
InChI InChI=1S/C21H13ClN8O/c1-11-17-18(15-10-29-16-5-3-2-4-14(16)23-21(29)27-24-15)25-26-20(31)19(17)28-30(11)13-8-6-12(22)7-9-13/h2-10H,1H3,(H,26,31)
InChIKey IYPZONUTNBKKAM-UHFFFAOYSA-N
Mol Weight 428.84 g/mol
Molecular Formula C21H13ClN8O
Exact Mass 428.090085 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IpjGvuF4mUg
Name 4-(Benzo[4,5]imidazo[2,1-c][1,2,4]triazin-3-yl)-2-(4-chlorophenyl)-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 C21H13ClN8O
InChI InChI=1S/C21H13ClN8O/c1-11-17-18(15-10-29-16-5-3-2-4-14(16)23-21(29)27-24-15)25-26-20(31)19(17)28-30(11)13-8-6-12(22)7-9-13/h2-10H,1H3,(H,26,31)
InChIKey IYPZONUTNBKKAM-UHFFFAOYSA-N
Instrument Name GC??MS QP1000 EX Shimadzu
Ionization Type EI
Literature Reference DOI 10.1002/jhet.3415
Molecular Weight 428.843 g/mol
SMILES N1C(c2c(C(=N1)C=1N=Nc3[n](C1)c1c(n3)cccc1)c([n](n2)-c1ccc(cc1)Cl)C)=O
SPLASH splash10-03dl-9301100000-dcd3036ec755b7122cca
Source of Spectrum Y-56-431-10d
Wiley ID 1859357