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1190-22-3

1,3-二氯正丁烷(1190-22-3)Raman光谱

产品名称:1,3-二氯正丁烷

CAS:1190-22-3

分子式:C4H8Cl2

分子量: 127.01

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

InChIKey: QBGVARBIQGHVKR-UHFFFAOYSA-N

Smiles:C(Cl)CC(Cl)C

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    Mass

    MS-NW-4374          
    1,3-dichlorobutane
    C4H8Cl2             (Mass of molecular ion:    126)
    

       Source Temperature: 220 °C
       Sample Temperature: 170 °C
       Reservoir, 75 eV
    

          26.0       3.1
          27.0      23.5
          28.0       2.9
          29.0      10.8
          36.0       1.2
          38.0       1.1
          39.0       9.3
          39.5       1.2
          41.0       9.5
          41.5       1.0
          42.0       2.0
          49.0       5.4
          50.0       1.3
          51.0       1.8
          53.0       4.5
          54.0      10.9
          55.0     100.0
          56.0       4.9
          61.0       1.0
          62.0       7.4
          63.0      21.0
          64.0       2.7
          65.0       6.1
          75.0       8.9
          77.0       4.0
          90.0      29.6
          91.0       5.5
          92.0       9.7
          93.0       1.8
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C4 H8 Cl2 0.02 ml : 0.5 ml CDCl3
    1,3-dichlorobutane
    ChemicalStructure
        Assign.     Shift(ppm)
    A 4.25 B 3.696 C 2.123 D 1.561

         Hz     ppm     Int.
    

        384.81   4.297     93
        378.06   4.222     96
        338.81   3.784    100
        337.13   3.765     96
        331.38   3.701    324
        330.75   3.694    138
        325.38   3.634    247
        325.06   3.630    234
        199.38   2.227    119
        193.31   2.159    200
        192.56   2.151    167
        187.25   2.091    143
        186.25   2.080    201
        180.31   2.014     87
        179.94   2.010     81
        143.13   1.599   1000
        136.50   1.525    940
    

in CDCl3

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liquid film

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4880 A,200 M,liquid

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