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2,4-二甲基-1-己烯

产品名称 2,4-二甲基-1-己烯

CAS号16746-87-5

分子式C8H16

分子量112.21

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  • Mass

    MS-NW-3493          
    2,4-dimethyl-1-hexene
    C8H16               (Mass of molecular ion:    112)
    

       Source Temperature: 280 °C
       Sample Temperature: 180 °C
       Reservoir, 75 eV
    

          26.0       1.0
          27.0      13.7
          28.0       2.0
          29.0      28.2
          38.0       1.3
          39.0      16.8
          40.0       3.9
          41.0      57.1
          42.0       4.8
          43.0       3.7
          50.0       1.3
          51.0       2.2
          53.0       6.0
          54.0       1.5
          55.0      30.5
          56.0     100.0
          57.0      79.4
          58.0       3.6
          65.0       1.0
          67.0       4.4
          68.0       1.8
          69.0       5.0
          70.0       9.0
          81.0       1.3
          83.0       6.7
          97.0       1.4
         112.0       6.1
    

400 MHz in CDCl3

90 MHz in CDCl3


  • 1H NMR 399.65 MHz
    C8 H16 0.05 ml : 0.5 ml CDCl3
    2,4-dimethyl-1-hexene
    ChemicalStructure
        Assign.     Shift(ppm)
    A *1 4.725 B *1 4.647 C *2 2.026 D *2 1.790 E 1.683 F 1.526 G *3 1.354 J *3 1.115 K 0.885 L 0.833 J(C,D) = 13.6 HZ. J(C,F) = 6.2 HZ. J(D,F) = 8.3 HZ. J(F,G) = 5.2 HZ. J(F,J) = 6.8 HZ. J(G,J) = 13.5 HZ. J(G,K) = J(J,K) = 7.4 HZ. J(F,L) = 6.7 HZ

         Hz     ppm     Int.
    

       1890.38   4.731    123
       1889.04   4.727    159
       1887.94   4.724    165
       1886.47   4.721    131
       1859.25   4.653     95
       1858.28   4.650    155
       1857.18   4.648    170
       1856.08   4.645    156
       1854.86   4.642    130
       1853.76   4.639     80
        820.43   2.053     61
        814.21   2.038     65
        806.88   2.019     80
        800.78   2.004     83
        726.20   1.818     97
        725.22   1.815     98
        717.90   1.797    113
        716.92   1.794    114
        712.65   1.784     75
        711.67   1.781     75
        704.35   1.763     88
        703.37   1.760     89
        683.59   1.711     39
        673.58   1.686    647
        672.49   1.683    746
        671.39   1.680    553
        661.25   1.655     36
        621.70   1.556     30
        620.36   1.553     44
        619.02   1.549     39
        615.23   1.540     43
        613.89   1.537     62
        612.43   1.533     58
        610.84   1.529     34
        608.76   1.524     41
        607.30   1.520     64
        605.83   1.516     58
        604.37   1.513     38
        600.83   1.504     41
        599.24   1.500     44
        554.69   1.388     61
        549.44   1.375     58
        547.12   1.369     69
        543.70   1.361     34
        541.87   1.356     79
        541.26   1.355     83
        539.79   1.351     38
        536.01   1.342     68
        533.69   1.336     80
        528.56   1.323     68
        526.37   1.318     35
        521.24   1.305     32
        459.47   1.150     81
        452.03   1.132    109
        445.92   1.116     72
        444.95   1.114     72
        444.46   1.113     77
        438.48   1.098     83
        437.38   1.095     43
        431.64   1.081     48
        430.91   1.079     55
        360.47   0.902    504
        356.45   0.892     62
        353.03   0.884    974
        349.24   0.874     53
        345.58   0.865    384
        342.53   0.858     40
        342.29   0.857     40
        342.04   0.856     40
        341.19   0.854     40
        335.94   0.841   1000
        333.37   0.835     68
        329.22   0.824    937
    


  • 1H NMR 89.56 MHz
    C8 H16 0.04 ml : 0.5 ml CDCl3
    2,4-dimethyl-1-hexene
    ChemicalStructure
        Assign.     Shift(ppm)
    A *1 4.72 B *1 4.65 C *2 2.01 D *2 1.79 E 1.680 F 1.61 to 1.01 G 0.87 J 0.84

         Hz     ppm     Int.
    

        426.25   4.760     37
        425.06   4.747     91
        424.69   4.742     90
        423.63   4.731    132
        422.50   4.718    179
        421.06   4.702    160
        419.31   4.682     73
        418.31   4.671     99
        417.19   4.659    168
        416.31   4.649    189
        415.38   4.639    144
        413.75   4.620     99
        412.81   4.610     58
        187.00   2.088     37
        179.94   2.010     85
        174.31   1.947     93
        169.69   1.895     97
        168.75   1.885    102
        162.31   1.813    132
        161.44   1.803    140
        151.69   1.694    610
        150.69   1.683    882
        149.44   1.669    668
        141.63   1.582     65
        140.69   1.571     60
        139.63   1.560     49
        135.38   1.512     61
        134.44   1.502     61
        133.00   1.486     42
        132.44   1.479     39
        131.25   1.466     45
        128.19   1.432     70
        127.06   1.419     48
        124.31   1.389     40
        122.63   1.370     66
        120.94   1.351     56
        118.19   1.320     65
        116.31   1.299     32
        115.06   1.285     97
        112.69   1.259     54
        111.75   1.248     56
        111.00   1.240     71
        109.38   1.222     54
        107.19   1.197     59
        106.00   1.184     36
        104.88   1.172     90
        100.75   1.125     30
         99.19   1.108     78
         97.75   1.092     91
         92.50   1.033     76
         87.50   0.977     62
         84.56   0.945    352
         83.88   0.937    402
         81.50   0.911     87
         80.88   0.904     90
         79.38   0.887    255
         77.50   0.866   1000
         73.00   0.816    174
         71.31   0.797    700
         68.94   0.770    109
         68.38   0.764    109
    

in CDCl3



liquid film