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网站主页CAS数据库列表 623-97-2更多图谱乙醇-2-氯碳酸酯(2:1)(623-97-2)核磁图(1HNMR)

乙醇-2-氯碳酸酯(2:1)

产品名称 乙醇-2-氯碳酸酯(2:1)

CAS号623-97-2

分子式C5H8Cl2O3

分子量187.02

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  • Mass

    MS-NW-4218          
    bis(2-chloroethyl) carbonate
    C5H8Cl2O3           (Mass of molecular ion:    186)
    

       Source Temperature: 240 °C
       Sample Temperature: 180 °C
       Reservoir, 75 eV
    

          14.0       1.1
          15.0       3.0
          26.0       3.4
          27.0      65.7
          28.0       5.8
          29.0       4.5
          30.0       3.0
          31.0      27.0
          43.0       2.7
          44.0       3.1
          45.0       4.1
          49.0       4.9
          50.0       1.1
          51.0       1.6
          57.0       1.1
          61.0       1.0
          62.0      53.4
          63.0     100.0
          64.0      19.0
          65.0      31.8
          79.0       1.0
          93.0       8.2
          95.0       2.6
         125.0       3.7
         127.0       1.1
         151.0       2.0
    

90 MHz in CDCl3

parameter in CDCl3


  • 1H NMR 89.56 MHz
    C5 H8 Cl2 O3 0.02 ml : 0.5 ml CDCl3
    bis(2-chloroethyl) carbonate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 4.405 B 3.722

         Hz     ppm     Int.
    

        401.13   4.479    419
        400.63   4.474    392
        395.50   4.417   1000
        394.13   4.401    506
        389.56   4.350    652
        338.75   3.783    649
        333.75   3.727    506
        332.44   3.712    989
        329.94   3.685     43
        327.31   3.655    438
        326.81   3.650    392
    


  • 1H NMR 300 MHz
    C5 H8 Cl2 O3 50 vol% in CCl4
    bis(2-chloroethyl) carbonate
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 3.70 D(B) 4.33 J(A,A') -11.9 J(A,B) 6.59 J(A,B') 4.65 J(A',B) 4.65 J(A',B') 6.59 J(B,B') -11.9 HIRST,R.C. & GRANT,D.M. J.CHEM.PHYS. 40, 1909 (1964)

         Hz     ppm     Int.
    

       1304.71   4.349    804
       1299.91   4.333    632
       1299.18   4.331    997
       1298.06   4.327    562
       1293.47   4.312    911
       1115.54   3.718    911
       1110.94   3.703    563
       1109.83   3.699   1000
       1109.10   3.697    633
       1104.30   3.681    804
    

in CDCl3



liquid film



4880 A,200 M,liquid