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丁腈

产品名称 丁腈

CAS号109-74-0

分子式C4H7N

分子量69.11

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  • Mass

    MS-NW-0927          
    butyronitrile
    C4H7N               (Mass of molecular ion:     69)
    

       Source Temperature: 280 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          15.0       2.1
          26.0       5.3
          27.0      28.6
          28.0       5.9
          29.0      66.3
          30.0       1.5
          37.0       2.8
          38.0       3.2
          39.0       8.6
          40.0       3.8
          41.0     100.0
          42.0       4.0
          51.0       1.4
          52.0       2.7
          54.0       1.2
          64.0       1.2
    

400 MHz in CDCl3

parameter in benzene


  • 1H NMR 399.65 MHz
    C4 H7 N 0.05 ml : 0.5 ml CDCl3
    butyronitrile
    ChemicalStructure
        Assign.     Shift(ppm)
    A 2.339 B 1.699 C 1.081

         Hz     ppm     Int.
    

        946.41   2.369     23
        942.02   2.358    447
        939.45   2.351     50
        934.94   2.340    762
        930.05   2.328     47
        927.86   2.322    461
        697.39   1.746     67
        690.19   1.727    235
        682.98   1.709    425
        675.66   1.691    417
        668.46   1.673    249
        661.13   1.655     69
        439.21   1.099    644
        431.88   1.081   1000
        424.44   1.063    556
    


  • 1H NMR 300 MHz
    C4 H7 N 90 vol% in benzene
    butyronitrile
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 2.073 D(B) 1.398 D(C) 0.810 J(A,B) 7.03 J(A,C) -0.05 J(B,C) 7.39 SCHRUMPF,G. J.MAGN.RESON. 6, 243 (1972)

         Hz     ppm     Int.
    

        629.05   2.097    330
        622.04   2.073    705
        615.01   2.050    383
        437.60   1.459     45
        430.21   1.434    170
        423.08   1.410    337
        415.82   1.386    338
        408.64   1.362    190
        401.44   1.338     49
        250.22   0.834    519
        242.85   0.809   1000
        235.48   0.785    429
    

in CDCl3



CCl4 solution



liquid film



4880 A,200 M,liquid



UV PHOTOLYSIS IN H2O2 AND H2O, 34.5C



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