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4-([1,2,4]Triazolo[5,1-c][1,2,4]triazin-6-yl)-3-methyl-2-phenyl-2H-pyrazolo[3,4-d]pyridazin-7(6H)-one
SpectraBase Compound ID 1Qq9QC2Tkx0
InChI InChI=1S/C16H11N9O/c1-9-12-13(11-7-24-8-17-21-16(24)22-18-11)19-20-15(26)14(12)23-25(9)10-5-3-2-4-6-10/h2-8H,1H3,(H,20,26)
InChIKey AJAYJPPGUBKPHN-UHFFFAOYSA-N
Mol Weight 345.33 g/mol
Molecular Formula C16H11N9O
Exact Mass 345.108656 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Geonwr8hcNL
Name 4-([1,2,4]Triazolo[5,1-c][1,2,4]triazin-6-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 C16H11N9O
InChI InChI=1S/C16H11N9O/c1-9-12-13(11-7-24-8-17-21-16(24)22-18-11)19-20-15(26)14(12)23-25(9)10-5-3-2-4-6-10/h2-8H,1H3,(H,20,26)
InChIKey AJAYJPPGUBKPHN-UHFFFAOYSA-N
Instrument Name GC??MS QP1000 EX Shimadzu
Ionization Type EI
Literature Reference DOI 10.1002/jhet.3415
Molecular Weight 345.326 g/mol
SMILES N1C(c2c(C(=N1)C=1N=Nc3[n](C1)cnn3)c([n](n2)-c1ccccc1)C)=O
SPLASH splash10-0a4i-4912000000-97c15cbd603da88809d9
Source of Spectrum Y-56-431-9c
Wiley ID 1859379