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4,6-Dimethyl-2-phenyl-triazolo[4,5-d]pyrimidine-5,7-dione
SpectraBase Compound ID 98Bc3l1FCcn
InChI InChI=1S/C12H11N5O2/c1-15-10-9(11(18)16(2)12(15)19)13-17(14-10)8-6-4-3-5-7-8/h3-7H,1-2H3
InChIKey CKONKFGGXDRNTP-UHFFFAOYSA-N
Mol Weight 257.25 g/mol
Molecular Formula C12H11N5O2
Exact Mass 257.091275 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JKR3voBSHcp
Name 4,6-Dimethyl-2-phenyl-triazolo[4,5-d]pyrimidine-5,7-dione
Alternate Name(s) 4,6-Dimethyl-2-phenyl-triazolo[4,5-d]pyrimidine-5,7-quinone 4,6-Dimethyl-2-phenyl-[1,2,3]triazolo[4,5-d]pyrimidine-5,7-dione
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Formula C12H11N5O2
InChI InChI=1S/C12H11N5O2/c1-15-10-9(11(18)16(2)12(15)19)13-17(14-10)8-6-4-3-5-7-8/h3-7H,1-2H3
InChIKey CKONKFGGXDRNTP-UHFFFAOYSA-N
Molecular Weight 257.253 g/mol
SMILES C1(N(c2c(C(N1C)=O)n[n](n2)-c1ccccc1)C)=O
SPLASH splash10-0a4i-0290000000-317ded3f0f4c9f4910cf
Source of Spectrum O1-60-2682-3
Wiley ID 1592235