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3663-39-6

5-氨基-3-甲基-1,2,4-恶二唑(3663-39-6)质谱(MS)

分子式:C3H5N3O

分子量: 99.09

InChI:InChI=1S/C3H5N3O/c1-2-5-3(4)7-6-2/h1H3,(H2,4,5,6)

InChIKey: LGNNZKURGCOEJY-UHFFFAOYSA-N

Smiles:O1C(N)=NC(C)=N1

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    Mass

    MS-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
    ChemicalStructure
        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

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