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5-(4-Ethylbenzoyl)methyl-6,7-dihydrotetraazolo[1,5-b][1,2,4]triazin-6-one
SpectraBase Compound ID CqBOVWTKRUx
InChI InChI=1S/C13H12N6O2/c1-2-8-3-5-9(6-4-8)11(20)7-10-12(21)16-19-13(14-10)15-17-18-19/h3-6H,2,7H2,1H3,(H,16,21)
InChIKey PAOVZEZROQXZED-UHFFFAOYSA-N
Mol Weight 284.28 g/mol
Molecular Formula C13H12N6O2
Exact Mass 284.102174 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GNzqTPxnmR2
Name 5-(4-Ethylbenzoyl)methyl-6,7-dihydrotetraazolo[1,5-b][1,2,4]triazin-6-one
Alternate Name(s) 7-[2-(4-Ethyl-phenyl)-2-oxo-ethyl]-tetrazolo[1,5-b][1,2,4]triazin-6-one 7-[2-(4-ethylphenyl)-2-oxoethyl]tetraazolo[1,5-b][1,2,4]triazin-6(5H)-one
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Formula C13H12N6O2
InChI InChI=1S/C13H12N6O2/c1-2-8-3-5-9(6-4-8)11(20)7-10-12(21)16-19-13(14-10)15-17-18-19/h3-6H,2,7H2,1H3,(H,16,21)
InChIKey PAOVZEZROQXZED-UHFFFAOYSA-N
Molecular Weight 284.279 g/mol
SMILES N1C(C(=Nc2[n]1nnn2)CC(c1ccc(cc1)CC)=O)=O
SPLASH splash10-016u-3900000000-3a7fa6b70c629d6b9059
Source of Spectrum O1-30-136-5
Wiley ID 818656