4-Amino-4H-1,2,4-triazole(584-13-4) IR2
Product Name4-Amino-4H-1,2,4-triazole
CAS584-13-4
Molecular FormulaC2H4N4
Molecular Weight84.08
InChIInChI=1S/C2H4N4/c3-6-1-4-5-2-6/h1-2H,3H2
InChIKey FMCUPJKTGNBGEC-UHFFFAOYSA-N
SmilesN1=CN(N)C=N1
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MassMS-NW-7616 4-amino-1,2,4-triazole C2H4N4 (Mass of molecular ion: 84)
Source Temperature: 180 °C Sample Temperature: 130 °C Direct, 75 eV
13.0 2.6 16.0 1.9 17.0 1.6 26.0 1.5 27.0 10.7 28.0 51.5 29.0 15.1 30.0 27.3 38.0 1.4 39.0 1.6 40.0 4.3 41.0 1.4 42.0 3.2 43.0 3.6 57.0 7.0 69.0 1.5 84.0 100.0 85.0 4.2
parameter in DMSO-d6
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1H NMR 300 MHz C2 H4 N4 0.034 g : 0.5 ml DMSO-d6 4-amino-1,2,4-triazole 
Parameter ppm Hz
D(A) 8.420 D(B) 6.25
Hz ppm Int.2526.00 8.420 1000 1875.00 6.250 159
in DMSO-d6
KBr disc
nujol mull
