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5-Nitro-3-p-tolyl-1H-[1,2,4]triazole
SpectraBase Compound ID BkHjDsHNqRD
InChI InChI=1S/C9H8N4O2/c1-6-2-4-7(5-3-6)8-10-9(12-11-8)13(14)15/h2-5H,1H3,(H,10,11,12)
InChIKey JOBRTPNCKIQMBL-UHFFFAOYSA-N
Mol Weight 204.19 g/mol
Molecular Formula C9H8N4O2
Exact Mass 204.064726 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2KQc0Eh98Tu
Name 5-Nitro-3-p-tolyl-1H-[1,2,4]triazole
Alternate Name(s) 3-(4-Methylphenyl)-5-nitro-1H-1,2,4-triazole 3-Nitro-5-(p-tolyl)-1H-1,2,4-triazole 5-(4-Methylphenyl)-3-nitro-1H-1,2,4-triazole
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Formula C9H8N4O2
InChI InChI=1S/C9H8N4O2/c1-6-2-4-7(5-3-6)8-10-9(12-11-8)13(14)15/h2-5H,1H3,(H,10,11,12)
InChIKey JOBRTPNCKIQMBL-UHFFFAOYSA-N
Molecular Weight 204.189 g/mol
SMILES [nH]1nc(nc1N(=O)=O)-c1ccc(cc1)C
SPLASH splash10-0udi-5970000000-beb6aa99787ef0cbe853
Wiley ID 1464640