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533-98-2

1,2-二溴丁烷(533-98-2)质谱(MS)

产品名称:1,2-二溴丁烷

CAS:533-98-2

分子式:C4H8Br2

分子量: 215.91

InChI:InChI=1S/C4H8Br2/c1-2-4(6)3-5/h4H,2-3H2,1H3

InChIKey: CZWSZZHGSNZRMW-UHFFFAOYSA-N

Smiles:C(Br)C(Br)CC

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    Mass

    MS-NW-4359          
    1,2-dibromobutane
    C4H8Br2             (Mass of molecular ion:    214)
    

       Source Temperature: 220 °C
       Sample Temperature: 180 °C
       Reservoir, 75 eV
    

          26.0       4.1
          27.0      21.3
          28.0       3.0
          29.0      26.1
          37.0       1.1
          38.0       2.2
          39.0      18.1
          40.0       1.5
          41.0      14.4
          50.0       2.2
          51.0       2.7
          52.0       1.0
          53.0       7.8
          54.0       1.6
          55.0     100.0
          56.0       7.0
          79.0       1.2
          80.0       1.1
          81.0       1.2
          82.0       1.2
          93.0       2.1
          95.0       1.9
         105.0       1.6
         106.0       1.7
         107.0       5.8
         108.0       1.8
         109.0       4.1
         119.0       1.6
         121.0       1.4
         135.0      67.2
         136.0       3.4
         137.0      65.2
         138.0       3.3
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C4 H8 Br2 0.02 ml : 0.5 ml CDCl3
    1,2-dibromobutane
    ChemicalStructure
        Assign.     Shift(ppm)
    A 4.156 B *1 3.851 C *1 3.638 D *2 2.195 E *2 1.831 F 1.073 J(A,B)=4.5HZ J(A,C)=10.0HZ J(B,C)=-10.1HZ

         Hz     ppm     Int.
    

        367.63   4.105    107
        352.69   3.939    145
        348.25   3.889    100
        342.56   3.825    380
        338.06   3.775    232
        333.88   3.729    422
        323.94   3.618    359
        313.88   3.505    103
        196.19   2.191     85
        188.88   2.109     85
        185.44   2.071    106
        178.00   1.988     96
        170.94   1.909    113
        163.00   1.821     97
        102.63   1.146    415
         95.38   1.065   1000
         88.25   0.986    278
         87.50   0.977    163
    

in CDCl3

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liquid film

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4880 A,200 M,liquid

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