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4-([1,2,4]Triazolo[5,1-c][1,2,4]triazin-6-yl)-3-methyl-2-(4-nitrophenyl)-2H-pyrazolo[3,4-d]pyridazin-7(6H)-one
SpectraBase Compound ID DVt03VoBnsc
InChI InChI=1S/C16H10N10O3/c1-8-12-13(11-6-24-7-17-21-16(24)22-18-11)19-20-15(27)14(12)23-25(8)9-2-4-10(5-3-9)26(28)29/h2-7H,1H3,(H,20,27)
InChIKey OXLVSPBWVPPKGF-UHFFFAOYSA-N
Mol Weight 390.32 g/mol
Molecular Formula C16H10N10O3
Exact Mass 390.093734 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2wjSHdQCmm
Name 4-([1,2,4]Triazolo[5,1-c][1,2,4]triazin-6-yl)-3-methyl-2-(4-nitrophenyl)-2H-pyrazolo[3,4-d]pyridazin-7(6H)-one
Appearance Yellow solid
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H10N10O3
InChI InChI=1S/C16H10N10O3/c1-8-12-13(11-6-24-7-17-21-16(24)22-18-11)19-20-15(27)14(12)23-25(8)9-2-4-10(5-3-9)26(28)29/h2-7H,1H3,(H,20,27)
InChIKey OXLVSPBWVPPKGF-UHFFFAOYSA-N
Instrument Name GC??MS QP1000 EX Shimadzu
Ionization Type EI
Literature Reference DOI 10.1002/jhet.3415
Molecular Weight 390.323 g/mol
SMILES N1C(c2c(C(=N1)C=1N=Nc3[n](C1)cnn3)c([n](n2)-c1ccc(cc1)[N+]([O-])=O)C)=O
SPLASH splash10-0btc-9360000000-a26748dc43ee58d124cf
Source of Spectrum Y-56-431-9e
Wiley ID 1859381