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638-56-2

二乙二醇双氯乙酯(638-56-2)核磁图(1HNMR)

分子式:C8H16Cl2O3

分子量: 231.12

InChI:InChI=1S/C8H16Cl2O3/c9-1-3-11-5-7-13-8-6-12-4-2-10/h1-8H2

InChIKey: ZCFRYTWBXNQVOW-UHFFFAOYSA-N

Smiles:O(CCOCCCl)CCOCCCl

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    Mass

    MS-NW-6661          
    diethylene glycol bis(2-chloroethyl) ether
    C8H16Cl2O3          (Mass of molecular ion:    230)
    

       Source Temperature: 260 °C
       Sample Temperature: 190 °C
       Reservoir, 75 eV
    

          15.0       3.2
          19.0       1.1
          26.0       1.6
          27.0      29.9
          28.0       8.2
          29.0       5.1
          31.0       6.3
          36.0       1.0
          43.0      16.9
          44.0       4.9
          45.0      56.6
          46.0       1.4
          49.0       1.8
          51.0       3.3
          57.0       1.5
          58.0       1.4
          59.0      16.4
          62.0       2.8
          63.0     100.0
          64.0       3.3
          65.0      30.7
          70.0       1.5
          71.0       1.2
          72.0       3.1
          73.0       8.0
          87.0       3.4
          93.0       6.2
          95.0       2.2
         101.0       2.9
         103.0       1.0
         105.0       1.1
         106.0      17.7
         107.0      51.1
         108.0       8.0
         109.0      16.3
         115.0       1.5
         137.0      16.5
         138.0       1.1
         139.0       5.8
         151.0       1.9
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C8 H16 Cl2 O3 0.05 ml : 0.5 ml CDCl3
    diethylene glycol bis(2-chloroethyl) ether
    ChemicalStructure
        Assign.     Shift(ppm)
    A 3.78 B 3.68 C 3.62

         Hz     ppm     Int.
    

        345.25   3.855     27
        342.06   3.820     50
        340.38   3.801     23
        340.06   3.798     23
        337.00   3.763    149
        333.31   3.722    186
        332.69   3.715    198
        329.50   3.680   1000
        325.69   3.637    170
        320.63   3.581     60
        317.44   3.545     34
    

in CDCl3

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liquid film

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4880 A,200 M,liquid

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