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1-Benzyl-3-nitro-1H-1,2,4-triazol-5-ylamine
SpectraBase Compound ID 7DHlcnZnpjP
InChI InChI=1S/C9H9N5O2/c10-8-11-9(14(15)16)12-13(8)6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,10,11,12)
InChIKey LHFMEENHEQYGRR-UHFFFAOYSA-N
Mol Weight 219.2 g/mol
Molecular Formula C9H9N5O2
Exact Mass 219.075625 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 73DgyUcNjNI
Name 1-Benzyl-3-nitro-1H-1,2,4-triazol-5-ylamine
Alternate Name(s) (2-benzyl-5-nitro-1,2,4-triazol-3-yl)amine 1-Benzyl-3-nitro-1H-1,2,4-triazol-5-amine 2-Benzyl-5-nitro-1,2,4-triazol-3-amine 2-Benzyl-5-nitro-2H-[1,2,4]triazol-3-ylamine 5-Nitro-2-(phenylmethyl)-1,2,4-triazol-3-amine
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Formula C9H9N5O2
InChI InChI=1S/C9H9N5O2/c10-8-11-9(14(15)16)12-13(8)6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,10,11,12)
InChIKey LHFMEENHEQYGRR-UHFFFAOYSA-N
Molecular Weight 219.204 g/mol
SMILES Nc1[n](nc(n1)N(=O)=O)Cc1ccccc1
SPLASH splash10-0006-9110000000-974f63364e264967f914
Wiley ID 1459568