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2-Methyl-8-oxo-4-phenyl-1,2,3,4,9,10-hexahydro-8H-[1,2,4]triazolo[1,5-a:4,3-a0]dipyrimidin-5-ium-7-ide
SpectraBase Compound ID F2bOByCYPaZ
InChI InChI=1S/C15H17N5O/c1-10-9-12(11-5-3-2-4-6-11)20-15(16-10)19-8-7-13(21)17-14(19)18-20/h2-6,10,12H,7-9H2,1H3,(H,17,18,21)
InChIKey NEHCDTMWFFVOCH-UHFFFAOYSA-N
Mol Weight 283.33 g/mol
Molecular Formula C15H17N5O
Exact Mass 283.14331 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9Ens9DodgrT
Name 2-Methyl-8-oxo-4-phenyl-1,2,3,4,9,10-hexahydro-8H-[1,2,4]triazolo[1,5-a:4,3-a0]dipyrimidin-5-ium-7-ide
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Formula C15H17N5O
InChI InChI=1S/C15H17N5O/c1-10-9-12(11-5-3-2-4-6-11)20-15(16-10)19-8-7-13(21)17-14(19)18-20/h2-6,10,12H,7-9H2,1H3,(H,17,18,21)
InChIKey NEHCDTMWFFVOCH-UHFFFAOYSA-N
Molecular Weight 283.335 g/mol
SMILES N1C(CC([n+]2c1[n]1CCC([N-]c1n2)=O)c1ccccc1)C
SPLASH splash10-0690-8890000000-73deb17aad0182d68b2f
Source of Spectrum F-70-697-13d
Synonyms 2-Methyl-8-oxo-4-phenyl-1,2,3,4,9,10-hexahydro-8H-[1,2,4]triazolo[1,5-a:4,3-a]dipyrimidin-5-ium-7-ide 2-Methyl-8-oxo-4-phenyl-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 1742559