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616-21-7

1,2-二氯丁烷(616-21-7)Raman光谱

产品名称:1,2-二氯丁烷

CAS:616-21-7

分子式:C4H8Cl2

分子量: 127.01

InChI:InChI=1S/C4H8Cl2/c1-2-4(6)3-5/h4H,2-3H2,1H3

InChIKey: PQBOTZNYFQWRHU-UHFFFAOYSA-N

Smiles:C(Cl)C(Cl)CC

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    Mass

    MS-NW-4357          
    1,2-dichlorobutane
    C4H8Cl2             (Mass of molecular ion:    126)
    

       Source Temperature: 230 °C
       Sample Temperature: 180 °C
       Reservoir, 75 eV
    

          15.0       1.7
          26.0       6.9
          27.0      32.4
          28.0       5.2
          29.0      27.5
          35.0       1.2
          36.0       2.5
          37.0       2.3
          38.0       3.9
          39.0      27.2
          40.0       2.8
          41.0      91.0
          42.0       4.5
          49.0      13.3
          50.0       4.5
          51.0       4.9
          52.0       1.4
          53.0      11.1
          54.0      19.0
          55.0     100.0
          56.0       5.9
          60.0       1.0
          61.0       9.3
          62.0      32.4
          63.0      10.0
          64.0      10.4
          65.0       2.3
          73.0       1.2
          75.0      10.9
          76.0      41.5
          77.0      97.3
          78.0      16.3
          79.0      30.5
          80.0       1.0
          89.0       3.6
          90.0      38.6
          91.0       7.4
          92.0      12.5
          93.0       2.1
          96.0       1.3
          97.0       3.6
          98.0       1.0
          99.0       2.3
         111.0       1.2
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C4 H8 Cl2 0.02 ml : 0.5 ml CDCl3
    1,2-dichlorobutane
    ChemicalStructure
        Assign.     Shift(ppm)
    A 3.98 B *1 3.76 C *1 3.67 D *2 2.05 E *2 1.75 F 1.07 J(B,C)=-11.2HZ J(A,B)=5.0HZ J(A,C)=7.8HZ

         Hz     ppm     Int.
    

        363.13   4.055     77
        359.13   4.010     84
        358.19   4.000    124
        355.31   3.968     67
        354.25   3.956    117
        351.31   3.923     62
        350.44   3.913     91
        347.13   3.876    129
        342.19   3.821     55
        336.06   3.753    646
        333.56   3.725    689
        331.06   3.697    314
        325.88   3.639    399
        322.50   3.601     92
        314.75   3.515     71
        184.38   2.059    104
        180.38   2.015    110
        177.94   1.987     76
        176.88   1.975    115
        172.88   1.931    107
        170.50   1.904    118
        169.88   1.897     74
        165.94   1.853     58
        163.44   1.825    139
        162.75   1.818     94
        156.75   1.751     97
        155.69   1.739    109
        149.06   1.665    100
        102.06   1.140    464
         94.81   1.059   1000
         87.63   0.979    293
         86.75   0.969    171
    

in CDCl3

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liquid film

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4880 A,200 M,liquid

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