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3-Methyl-1,2,4-oxadiazol-5-amine(3663-39-6) MS
Product Name3-Methyl-1,2,4-oxadiazol-5-amine
CAS3663-39-6
Molecular FormulaC3H5N3O
Molecular Weight99.09
InChIInChI=1S/C3H5N3O/c1-2-5-3(4)7-6-2/h1H3,(H2,4,5,6)
InChIKey LGNNZKURGCOEJY-UHFFFAOYSA-N
SmilesO1C(N)=NC(C)=N1
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MassMS-NW-7646 5-amino-3-methyl-1,2,4-oxadiazole C3H5N3O (Mass of molecular ion: 99)
Source Temperature: 150 °C Sample Temperature: 120 °C Direct, 75 eV
15.0 6.5 16.0 1.9 26.0 1.4 27.0 10.4 28.0 10.9 29.0 2.7 30.0 2.8 38.0 1.2 39.0 2.0 40.0 5.3 41.0 8.0 42.0 51.8 43.0 48.9 44.0 16.5 53.0 2.3 55.0 6.4 56.0 6.6 57.0 8.5 58.0 4.8 68.0 3.1 69.0 12.0 84.0 1.5 99.0 100.0 100.0 5.2
parameter in DMSO-d6
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1H NMR 300 MHz C3 H5 N3 O 0.037 g : 0.5 ml DMSO-d6 5-amino-3-methyl-1,2,4-oxadiazole 
Parameter ppm Hz
D(A) 7.62 D(B) 2.057
Hz ppm Int.2285.99 7.620 120 617.12 2.057 1000
in DMSO-d6
