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1-PROPONYL-3-NITRO-5-AMINO-1,2,4-TRIAZOLE
SpectraBase Compound ID LqXgGquoPsi
InChI InChI=1S/C5H7N5O3/c1-3(11)2-9-4(6)7-5(8-9)10(12)13/h2H2,1H3,(H2,6,7,8)
InChIKey MJOGRARFWPPJND-UHFFFAOYSA-N
Mol Weight 185.14 g/mol
Molecular Formula C5H7N5O3
Exact Mass 185.054889 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4c9zWvAMS6f
Name 2-Propanone, 1-(5-amino-3-nitro-1H-1,2,4-triazol-1-yl)-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C5H7N5O3
InChI InChI=1S/C5H7N5O3/c1-3(11)2-9-4(6)7-5(8-9)10(12)13/h2H2,1H3,(H2,6,7,8)
InChIKey MJOGRARFWPPJND-UHFFFAOYSA-N
Molecular Weight 185.143 g/mol
SMILES Nc1nc(n[n]1CC(=O)C)N(=O)=O
SPLASH splash10-0006-9100000000-0295e1588018a3e6553b
Source of Spectrum IY-1-4612-7
Synonyms 1-(5-amino-3-nitro-1,2,4-triazol-1-yl)-2-propanone 1-(5-amino-3-nitro-1,2,4-triazol-1-yl)propan-2-one 1-(5-azanyl-3-nitro-1,2,4-triazol-1-yl)propan-2-one
Wiley ID 1654110