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3-[(2-Methyl-5-nitro-1-oxido-2H-1,2,3-triazol-4-yl)amino]propanenitrile
SpectraBase Compound ID A6xJz1OLbiw
InChI InChI=1S/C6H8N6O3/c1-10-9-5(8-4-2-3-7)6(11(10)13)12(14)15/h2,4H2,1H3,(H,8,9)
InChIKey JDWPTJLTXACTPH-UHFFFAOYSA-N
Mol Weight 212.17 g/mol
Molecular Formula C6H8N6O3
Exact Mass 212.065788 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DboEYYqzZji
Name 3-[(2-Methyl-5-nitro-1-oxido-2H-1,2,3-triazol-4-yl)amino]propanenitrile
CAS Registry Number 173165-07-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H8N6O3
InChI InChI=1S/C6H8N6O3/c1-10-9-5(8-4-2-3-7)6(11(10)13)12(14)15/h2,4H2,1H3,(H,8,9)
InChIKey JDWPTJLTXACTPH-UHFFFAOYSA-N
Molecular Weight 212.169 g/mol
SMILES N(c1c([n+]([n](n1)C)[O-])N(=O)=O)CCC#N
SPLASH splash10-0006-9200000000-85dbc9fade9beb7d008d
Source of Spectrum AD-0-2532-0
Synonyms 3-[(2-methyl-5-nitro-1-oxidanidyl-1,2,3-triazol-1-ium-4-yl)amino]propanenitrile 3-[(2-methyl-5-nitro-1-oxido-4-triazol-1-iumyl)amino]propanenitrile 3-[(2-methyl-5-nitro-1-oxido-triazol-1-ium-4-yl)amino]propanenitrile 3-[(2-methyl-5-nitro-1-oxido-triazol-1-ium-4-yl)amino]propionitrile Propionitrile, 3-(2-methyl-5-nitro-1-oxido-1,2,3-triazol-4-yl)amino-
Wiley ID 1420570