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1-氰基乙酰-3,5-二甲基吡唑

产品名称 1-氰基乙酰-3,5-二甲基吡唑

CAS号36140-83-7

分子式C8H9N3O

分子量163.18

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  • Mass

    MS-IW-2764          
    3-(3,5-dimethyl-1-pyrazolyl)-3-oxopropionitrile
    C8H9N3O             (Mass of molecular ion:    163)
    

       Source Temperature: 210 °C
       Sample Temperature: 160 °C
       Reservoir, 75 eV
    

          15.0       2.0
          26.0       1.8
          27.0       4.7
          28.0       8.0
          29.0       1.8
          30.0       1.6
          38.0       4.3
          39.0      18.0
          40.0      15.3
          41.0      27.4
          42.0      10.7
          43.0       2.3
          44.0      20.3
          51.0       2.2
          52.0       3.0
          53.0       2.4
          54.0      14.7
          55.0       6.3
          56.0       2.7
          63.0       1.5
          65.0       4.3
          66.0       2.5
          67.0       6.1
          68.0       6.4
          69.0       2.7
          81.0      14.6
          82.0       1.6
          94.0       1.2
          95.0      81.9
          96.0     100.0
          97.0       6.2
         121.0       2.8
         122.0       1.4
         123.0       1.4
         135.0       4.5
         163.0      13.3
         164.0       1.3
    

400 MHz in DMSO-d6


  • 1H NMR 399.65 MHz
    C8 H9 N3 O 0.025 g : 0.5 ml DMSO-d6
    3-(3,5-dimethyl-1-pyrazolyl)-3-oxopropionitrile
    ChemicalStructure
        Assign.     Shift(ppm)
    A 5.750 B 3.861 C *1 2.127 D *1 2.125

         Hz     ppm     Int.
    

       2298.19   5.751    129
       1543.18   3.862    499
        849.89   2.127   1000
        849.34   2.126    948
    

in DMSO-d6



KBr disc



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