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网站主页CAS数据库列表 621-62-5更多图谱氯乙醛缩二乙醇(621-62-5)核磁图(13CNMR)

氯乙醛缩二乙醇

产品名称 氯乙醛缩二乙醇

CAS号621-62-5

分子式C6H13ClO2

分子量152.62

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  • Mass

    MS-NW-1033          
    chloroacetaldehyde diethyl acetal
    C6H13ClO2           (Mass of molecular ion:    152)
    

       Source Temperature: 240 °C
       Sample Temperature: 130 °C
       Reservoir, 75 eV
    

          14.0       1.5
          15.0       8.1
          18.0       2.4
          19.0       4.3
          26.0       3.2
          27.0      22.3
          28.0       5.5
          29.0      52.4
          30.0       1.3
          31.0      18.7
          32.0       1.2
          41.0       1.0
          42.0       4.4
          43.0      20.9
          44.0       6.4
          45.0      16.4
          46.0       2.2
          47.0      94.6
          48.0       1.1
          49.0       4.9
          50.0       3.3
          51.0       1.7
          52.0       1.0
          61.0       1.8
          71.0       1.3
          72.0       1.4
          75.0      52.7
          76.0       1.7
          77.0       1.8
          78.0      10.4
          79.0     100.0
          80.0       5.3
          81.0      32.0
          95.0       2.1
         103.0      73.7
         104.0       4.2
         106.0       3.1
         107.0      50.0
         108.0       3.2
         109.0      15.8
    

400 MHz in CDCl3

parameter neat


  • 1H NMR 399.65 MHz
    C6 H13 Cl O2 0.05 ml : 0.5 ml CDCl3
    chloroacetaldehyde diethyl acetal
    ChemicalStructure
        Assign.     Shift(ppm)
    A 4.629 B *1 3.710 C *1 3.592 D 3.508 E 1.237

         Hz     ppm     Int.
    

       1855.47   4.643    107
       1849.98   4.630    211
       1844.60   4.616    113
       1499.15   3.752     49
       1492.07   3.734    147
       1489.75   3.728     75
       1484.99   3.716    155
       1482.67   3.710    210
       1477.91   3.699     61
       1475.59   3.693    210
       1468.63   3.675     73
       1450.32   3.629     69
       1443.24   3.612    202
       1440.92   3.606     53
       1436.16   3.594    206
       1433.96   3.589    147
       1429.20   3.577     80
       1426.88   3.571    148
       1419.80   3.553     52
       1404.79   3.516    463
       1399.29   3.502    471
        501.46   1.255    608
        498.90   1.249     31
        494.38   1.238   1000
        487.30   1.220    619
    


  • 1H NMR 300 MHz
    C6 H13 Cl O2 neat
    chloroacetaldehyde diethyl acetal
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 1.170 D(B) *1 3.640 D(C) *1 3.527 J(A,B) 7.04 J(A,C) 7.04 J(B,C) -9.39 D(D) 4.564 D(E) 3.437 J(D,E) 5.48 RATTET,L.S. & GOLDSTEIN,J.H. ORG.MAGN.RESON. 1, 229 (1969)

         Hz     ppm     Int.
    

       1374.74   4.582     81
       1369.25   4.564    165
       1363.79   4.546     87
       1107.95   3.693     30
       1100.92   3.670     91
       1098.61   3.662     55
       1093.86   3.646     96
       1091.51   3.638    158
       1086.79   3.623     37
       1084.48   3.615    159
       1077.42   3.591     55
       1072.80   3.576     53
       1065.73   3.552    156
       1063.39   3.545     35
       1058.70   3.529    161
       1056.36   3.521     94
       1051.67   3.506     58
       1049.30   3.498     93
       1042.27   3.474     33
       1033.82   3.446    337
       1028.36   3.428    326
        358.02   1.193    501
        350.99   1.170   1000
        343.96   1.147    485
    

in CDCl3



CCl4 solution



liquid film



4880 A,200 M,liquid