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4-([1,2,4]Triazolo[5,1-c][1,2,4]triazin-6-yl)-2-(4-chlorophenyl)-3-methyl-2H-pyrazolo[3,4-d]pyridazin-7(6H)-one
SpectraBase Compound ID 89PBSi97MLv
InChI InChI=1S/C16H10ClN9O/c1-8-12-13(11-6-25-7-18-22-16(25)23-19-11)20-21-15(27)14(12)24-26(8)10-4-2-9(17)3-5-10/h2-7H,1H3,(H,21,27)
InChIKey BJNCVLNSRZAKNO-UHFFFAOYSA-N
Mol Weight 379.77 g/mol
Molecular Formula C16H10ClN9O
Exact Mass 379.069684 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CFvqoxLgdwq
Name 4-([1,2,4]Triazolo[5,1-c][1,2,4]triazin-6-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 C16H10ClN9O
InChI InChI=1S/C16H10ClN9O/c1-8-12-13(11-6-25-7-18-22-16(25)23-19-11)20-21-15(27)14(12)24-26(8)10-4-2-9(17)3-5-10/h2-7H,1H3,(H,21,27)
InChIKey BJNCVLNSRZAKNO-UHFFFAOYSA-N
Instrument Name GC??MS QP1000 EX Shimadzu
Ionization Type EI
Literature Reference DOI 10.1002/jhet.3415
Molecular Weight 379.771 g/mol
SMILES N1C(c2c(C(=N1)C=1N=Nc3[n](C1)cnn3)c([n](n2)-c1ccc(cc1)Cl)C)=O
SPLASH splash10-03k9-9401000000-652c4c41af3be31cf8a2
Source of Spectrum Y-56-431-9d
Wiley ID 1859380