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4,6,7,8-Tetrahydro-3-methyl-1-phenyl-4,7-dithioxo-1H-pyrazolo[3,4-d][1,2,4]triazino[1,5-a]pyridine-9-carbonitrile
SpectraBase Compound ID GLxlHLsUkWm
InChI InChI=1S/C15H10N6S2/c1-8-11-12(20(18-8)9-5-3-2-4-6-9)10(7-16)13-17-15(23)19-21(13)14(11)22/h2-6H,1H3,(H2,17,19,23)
InChIKey JNEIRLZDIFOHCM-UHFFFAOYSA-N
Mol Weight 338.41 g/mol
Molecular Formula C15H10N6S2
Exact Mass 338.040837 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1X55uxiaB76
Name 4,6,7,8-Tetrahydro-3-methyl-1-phenyl-4,7-dithioxo-1H-pyrazolo[3,4-d][1,2,4]triazino[1,5-a]pyridine-9-carbonitrile
Comments Removed - expert review: contamination (sulfur))
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Formula C15H10N6S2
InChI InChI=1S/C15H10N6S2/c1-8-11-12(20(18-8)9-5-3-2-4-6-9)10(7-16)13-17-15(23)19-21(13)14(11)22/h2-6H,1H3,(H2,17,19,23)
InChIKey JNEIRLZDIFOHCM-UHFFFAOYSA-N
Molecular Weight 338.407 g/mol
SMILES N1C(NC=2N1C(=S)c1c(C2C#N)[n](nc1C)-c1ccccc1)=S
SPLASH splash10-0abc-9372000000-2e18f21342520a237890
Source of Spectrum O1-57-1131-18
Wiley ID 1591543