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8-Oxo-2,4-diphenyl-1,2,3,4,9,10-hexahydro-8H-[1,2,4]triazolo[1,5-a:4,3-a']dipyrimidin-5-ium-7-ide
SpectraBase Compound ID 5rOiwHhy3Xg
InChI InChI=1S/C20H19N5O/c26-18-11-12-24-19(22-18)23-25-17(15-9-5-2-6-10-15)13-16(21-20(24)25)14-7-3-1-4-8-14/h1-10,16-17H,11-13H2,(H,22,23,26)
InChIKey CMCYQYULSBCTJK-UHFFFAOYSA-N
Mol Weight 345.41 g/mol
Molecular Formula C20H19N5O
Exact Mass 345.15896 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DOWuOsTRfD1
Name 8-Oxo-2,4-diphenyl-1,2,3,4,9,10-hexahydro-8H-[1,2,4]triazolo[1,5-a:4,3-a']dipyrimidin-5-ium-7-ide
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Formula C20H19N5O
InChI InChI=1S/C20H19N5O/c26-18-11-12-24-19(22-18)23-25-17(15-9-5-2-6-10-15)13-16(21-20(24)25)14-7-3-1-4-8-14/h1-10,16-17H,11-13H2,(H,22,23,26)
InChIKey CMCYQYULSBCTJK-UHFFFAOYSA-N
Molecular Weight 345.406 g/mol
SMILES N1C(CC([n+]2c1[n]1CCC([N-]c1n2)=O)c1ccccc1)c1ccccc1
SPLASH splash10-0f6x-9672000000-06a3eae74c957406e562
Source of Spectrum F-70-697-13b
Synonyms 8-Oxo-2,4-diphenyl-2,3,4,8,9,10-hexahydro-1H-[1,2,4]triazolo[1,5-a:4,3-a']dipyrimidin-5-ium-7-ide
Wiley ID 1742561