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2-(4-Chlorophenyl)-3-methyl-4-(7-phenylpyrazolo[5,1-c][1,2,4]triazin-3-yl)-2H-pyrazolo[3,4-d]pyridazin-7(6H)-one
SpectraBase Compound ID 6v1IhdyEFl6
InChI InChI=1S/C23H15ClN8O/c1-13-20-21(27-28-23(33)22(20)30-32(13)16-9-7-15(24)8-10-16)18-12-31-19(26-25-18)11-17(29-31)14-5-3-2-4-6-14/h2-12H,1H3,(H,28,33)
InChIKey NEIBYVFZOORWKR-UHFFFAOYSA-N
Mol Weight 454.88 g/mol
Molecular Formula C23H15ClN8O
Exact Mass 454.105735 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2wNucAZDZA
Name 2-(4-Chlorophenyl)-3-methyl-4-(7-phenylpyrazolo[5,1-c][1,2,4]triazin-3-yl)-2H-pyrazolo[3,4-d]pyridazin-7(6H)-one
Appearance Yellow solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H15ClN8O
InChI InChI=1S/C23H15ClN8O/c1-13-20-21(27-28-23(33)22(20)30-32(13)16-9-7-15(24)8-10-16)18-12-31-19(26-25-18)11-17(29-31)14-5-3-2-4-6-14/h2-12H,1H3,(H,28,33)
InChIKey NEIBYVFZOORWKR-UHFFFAOYSA-N
Instrument Name GC??MS QP1000 EX Shimadzu
Ionization Type EI
Literature Reference DOI 10.1002/jhet.3415
Molecular Weight 454.881 g/mol
SMILES N1C(c2c(C(=N1)C=1N=Nc3[n](C1)nc(c3)-c1ccccc1)c([n](n2)-c1ccc(cc1)Cl)C)=O
SPLASH splash10-03di-3970200000-cb528b8fdcf40e16ee7e
Source of Spectrum Y-56-432-11d
Wiley ID 1859362