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3-amino-5-oxo-2-pyrazoline-1-propionitrile

View entire compound with spectra: 4 NMR, 1 FTIR, and 1 MS (GC)

3-amino-5-oxo-2-pyrazoline-1-propionitrile
SpectraBase Compound ID c8AiRIRD3t
InChI InChI=1S/C6H8N4O/c7-2-1-3-10-6(11)4-5(8)9-10/h1,3-4H2,(H2,8,9)
InChIKey LJWWJKOFSIEHMF-UHFFFAOYSA-N
Mol Weight 152.16 g/mol
Molecular Formula C6H8N4O
Exact Mass 152.069811 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2xVqhyoW8Yj
Name 1H-Pyrazole-1-propanenitrile, 3-amino-4,5-dihydro-5-oxo-
Alternate Name(s) 3-(3-amino-5-keto-2-pyrazolin-1-yl)propionitrile 3-(3-amino-5-oxo-4H-pyrazol-1-yl)propanenitrile 3-(3-azanyl-5-oxidanylidene-4H-pyrazol-1-yl)propanenitrile
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Formula C6H8N4O
InChI InChI=1S/C6H8N4O/c7-2-1-3-10-6(11)4-5(8)9-10/h1,3-4H2,(H2,8,9)
InChIKey LJWWJKOFSIEHMF-UHFFFAOYSA-N
Molecular Weight 152.157 g/mol
SMILES NC1=NN(C(=O)C1)CCC#N
SPLASH splash10-03dj-9700000000-f9923f9abfd7fc8c3456
Wiley ID 1450025