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2,2-二氯-1,1-二乙氧基乙烷

产品名称 2,2-二氯-1,1-二乙氧基乙烷

CAS号619-33-0

分子式C6H12Cl2O2

分子量187.06

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  • Mass

    MS-NW-1284          
    dichloroacetaldehyde diethyl acetal
    C6H12Cl2O2          (Mass of molecular ion:    186)
    

       Source Temperature: 260 °C
       Sample Temperature: 180 °C
       Reservoir, 75 eV
    

          14.0       1.0
          15.0       3.3
          19.0       4.8
          26.0       2.6
          27.0      20.4
          28.0       4.1
          29.0      64.8
          30.0       1.5
          31.0      11.4
          41.0       1.7
          42.0       2.3
          43.0       3.8
          45.0       9.9
          47.0     100.0
          48.0       2.0
          49.0       7.2
          51.0       2.3
          59.0       2.1
          61.0       1.2
          63.0       2.0
          65.0       1.2
          75.0      62.7
          76.0       2.2
          77.0       7.0
          78.0       6.6
          79.0       2.7
          80.0       2.2
          83.0       2.2
          85.0       1.4
         103.0      44.2
         104.0       2.5
         112.0       1.2
         113.0      32.3
         114.0       1.3
         115.0      21.0
         117.0       3.3
         141.0      17.4
         143.0      11.0
         145.0       1.7
    

90 MHz in CDCl3

parameter neat


  • 1H NMR 89.56 MHz
    C6 H12 Cl2 O2 0.04 ml : 0.5 ml CDCl3
    dichloroacetaldehyde diethyl acetal
    ChemicalStructure
        Assign.     Shift(ppm)
    A 5.596 B 4.616 C *1 3.78 D *1 3.71 E 1.271

         Hz     ppm     Int.
    

        504.00   5.628    247
        498.69   5.569    275
        415.94   4.645    180
        410.63   4.585    161
        349.38   3.902     23
        347.31   3.878     71
        344.81   3.851     70
        342.25   3.822     30
        340.13   3.798    198
        337.81   3.772    204
        335.44   3.746     26
        333.00   3.719    212
        330.88   3.695    214
        328.56   3.669     34
        325.94   3.640     84
        324.00   3.618     84
        321.50   3.590     28
        120.63   1.347    502
        113.63   1.269   1000
        106.56   1.190    433
    


  • 1H NMR 300 MHz
    C6 H12 Cl2 O2 neat
    dichloroacetaldehyde diethyl acetal
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 1.212 D(B) *1 3.719 D(C) *1 3.657 J(A,B) 7.06 J(A,C) 7.06 J(B,C) -9.40 D(D) 4.559 D(E) 5.596 J(D,E) 5.84 RATTET,L.S. & GOLDSTEIN,J.H. ORG.MAGN.RESON. 1, 229 (1969)

         Hz     ppm     Int.
    

       1681.76   5.606    164
       1675.94   5.586    170
       1370.58   4.569    170
       1364.80   4.549    164
       1132.18   3.774     23
       1125.12   3.750     69
       1122.81   3.743     62
       1118.03   3.727     74
       1115.72   3.719    181
       1111.26   3.704     79
       1108.66   3.696    185
       1104.24   3.681    180
       1101.65   3.672     81
       1097.23   3.657    184
       1094.88   3.650     73
       1090.18   3.634     65
       1087.82   3.626     71
       1080.81   3.603     24
        370.65   1.235    505
        363.59   1.212   1000
        356.54   1.188    487
    

in CDCl3



CCl4 solution



liquid film



4880 A,200 M,liquid