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1,2-Dibromopropane

CAS78-75-1

MFC3H6Br2

MW201.89

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  • Mass

    MS-NW-0820          
    1,2-dibromopropane
    C3H6Br2             (Mass of molecular ion:    200)
    

       Source Temperature: 220 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          26.0       2.3
          27.0       7.2
          37.0       2.7
          38.0       5.5
          39.0      28.7
          40.0       3.1
          41.0      77.1
          42.0       5.7
          78.0       1.2
          79.0       1.9
          80.0       1.6
          81.0       1.9
          82.0       1.5
          93.0       4.9
          95.0       4.8
         105.0       2.7
         107.0       4.7
         109.0       2.2
         121.0     100.0
         122.0       3.5
         123.0      98.0
         124.0       3.3
         202.0       1.6
    

parameter in DMSO-d6

parameter in CCl4

90 MHz in CDCl3

parameter in acetonitrile


  • 1H NMR 300 MHz
    C3 H6 Br2 17.0 mol% in DMSO
    1,2-dibromopropane
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 1.68 D(B) 4.34 D(C) 3.85 D(D) 3.14 J(A,B) 6.45 J(A,C) 0.10 J(A,D) 0.0 J(B,C) 4.82 J(B,D) 8.03 J(C,D) -10.09 FINEGOLD,H. J.CHEM.PHYS. 41, 1808 (1964)

         Hz     ppm     Int.
    

       1318.21   4.394     20
       1313.38   4.378     27
       1311.78   4.373     64
       1310.23   4.367     29
       1306.96   4.357     73
       1305.36   4.351     94
       1303.76   4.346     73
       1300.51   4.335     76
       1298.94   4.330     98
       1297.31   4.324     73
       1294.04   4.313     32
       1292.51   4.308     72
       1290.89   4.303     29
       1286.06   4.287     24
       1162.54   3.875    161
       1157.74   3.859    152
       1152.46   3.842    177
       1147.66   3.826    166
        950.91   3.170    179
        942.86   3.143    180
        940.83   3.136    173
        932.80   3.109    156
        507.21   1.691   1000
        500.78   1.669    984
    


  • 1H NMR 300 MHz
    C3 H6 Br2 23.1 mol% in CCl4
    1,2-dibromopropane
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 1.83 D(B) 4.14 D(C) 3.81 D(D) 3.47 J(A,B) 6.39 J(A,C) 0.55 J(A,D) -0.15 J(B,C) 4.03 J(B,D) 10.65 J(C,D) -9.63 FINEGOLD,H. J.CHEM.PHYS. 41, 1808 (1964)

         Hz     ppm     Int.
    

       1259.15   4.197     29
       1255.10   4.184     33
       1252.76   4.176     86
       1248.69   4.162    117
       1246.39   4.155     91
       1244.47   4.148     43
       1242.24   4.141    171
       1240.00   4.133     40
       1238.10   4.127    106
       1235.78   4.119    122
       1231.71   4.106    105
       1229.37   4.098     36
       1225.35   4.084     36
       1150.24   3.834    131
       1149.80   3.833    131
       1146.22   3.821    123
       1145.78   3.819    122
       1140.62   3.802    158
       1140.17   3.801    160
       1136.59   3.789    146
       1136.15   3.787    146
       1050.79   3.503    262
       1041.12   3.470    248
       1040.16   3.467    264
       1030.51   3.435    195
        552.34   1.841   1000
        552.03   1.840   1000
        545.98   1.820    986
        545.64   1.819    982
    


  • 1H NMR 89.56 MHz
    C3 H6 Br2 0.04 ml : 0.5 ml CDCl3
    1,2-dibromopropane
    ChemicalStructure
        Assign.     Shift(ppm)
    A 4.242 B *1 3.842 C *1 3.570 D 1.825 J(A,B)=4.3HZ J(A,C)=10.1HZ J(A,D)=6.5HZ J(B,C)=-10.0HZ J(B,D)=0.4HZ

         Hz     ppm     Int.
    

        391.69   4.374     66
        388.19   4.335     41
        387.44   4.327     79
        385.13   4.301     69
        383.94   4.287     41
        381.56   4.261    106
        380.94   4.254     90
        378.75   4.230     32
        377.31   4.213    107
        375.06   4.188    104
        374.56   4.183     44
        370.81   4.141    115
        368.69   4.117     40
        364.44   4.070     49
        353.06   3.943     94
        352.63   3.938     95
        348.81   3.895     86
        348.44   3.891     80
        343.13   3.832    201
        342.69   3.827    203
        338.88   3.784    169
        338.44   3.779    162
        327.31   3.655    463
        317.25   3.543    496
        307.25   3.431    172
        166.88   1.864    979
        166.44   1.859   1000
        164.63   1.839     43
        160.31   1.790    956
        159.94   1.786    925
    


  • 1H NMR 300 MHz
    C3 H6 Br2 12.6 mol% in acetonitrile
    1,2-dibromopropane
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 1.77 D(B) 4.33 D(C) 3.86 D(D) 3.67 J(A,B) 6.31 J(A,C) 0.30 J(A,D) 0.0 J(B,C) 4.53 J(B,D) 8.75 J(C,D) -10.09 FINEGOLD,H. J.CHEM.PHYS. 41, 1808 (1964)

         Hz     ppm     Int.
    

       1315.28   4.384     22
       1310.72   4.369     27
       1308.96   4.363     68
       1306.53   4.355     29
       1304.42   4.348     75
       1302.66   4.342     78
       1300.23   4.334     78
       1298.13   4.327     77
       1295.70   4.319     87
       1293.94   4.313     79
       1291.83   4.306     30
       1289.38   4.298     80
       1287.65   4.292     29
       1283.11   4.277     27
       1165.75   3.886    123
       1161.19   3.871    116
       1155.64   3.852    177
       1151.13   3.837    164
       1109.87   3.700    235
       1101.15   3.670    225
       1099.81   3.666    180
       1091.06   3.637    152
        534.15   1.780   1000
        527.86   1.760    984
    

in CDCl3



liquid film



4880 A,200 M,liquid