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乙酸-3-(甲基己基)酯

产品名称 乙酸-3-(甲基己基)酯

CAS号50373-54-1

分子式C9H18O2

分子量158.24


  • Mass

    MS-IW-9048          
    3-methylhexyl acetate
    C9H18O2             (Mass of molecular ion:    158)
    

       Source Temperature: 200 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          15.0       2.9
          27.0       8.2
          28.0       2.7
          29.0       9.4
          39.0       6.2
          40.0       1.2
          41.0      26.1
          42.0       9.8
          43.0     100.0
          44.0       2.8
          45.0       1.7
          53.0       2.0
          54.0       2.3
          55.0      56.2
          56.0      38.9
          57.0       8.9
          58.0       1.7
          61.0      19.1
          67.0       1.7
          68.0       2.9
          69.0      58.7
          70.0      59.4
          71.0       9.0
          73.0       5.0
          81.0       1.3
          83.0      11.6
          84.0       1.2
          85.0       1.9
          86.0       2.0
          87.0       7.9
          88.0       3.2
          97.0       3.8
          98.0      22.9
          99.0       2.4
         115.0       3.5
    

400 MHz in CDCl3


  • 1H NMR 399.65 MHz
    C9 H18 O2 0.05 ml : 0.5 ml CDCl3
    3-methylhexyl acetate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 4.10 B 2.038 C *1 1.651 D 1.543 E *1 1.432 F *2 1.30 G *2 1.150 K 0.899 L 0.888 ASSIGNED BY C-H COSY

         Hz     ppm     Int.
    

       1647.34   4.122     88
       1644.53   4.115     39
       1642.82   4.111    101
       1641.24   4.107    112
       1639.89   4.104    114
       1635.74   4.093    172
       1633.79   4.089    106
       1628.66   4.076     90
       1624.88   4.066     40
        814.58   2.039   1000
        670.78   1.679     37
        665.04   1.665     56
        659.42   1.650     42
        657.59   1.646     59
        652.10   1.632     62
        650.27   1.628     31
        644.90   1.614     35
        622.68   1.559     40
        621.34   1.555     36
        616.09   1.542     43
        609.74   1.526     30
        587.52   1.471     41
        581.30   1.455     45
        580.44   1.453     58
        574.10   1.437     71
        572.75   1.434     49
        567.99   1.422     39
        566.53   1.418     67
        560.42   1.403     45
        559.33   1.400     40
        553.22   1.385     33
        546.02   1.367     35
        544.19   1.362     33
        541.99   1.357     32
        538.82   1.349     46
        536.87   1.344     44
        531.49   1.330     61
        530.03   1.327     90
        527.47   1.320     67
        524.78   1.314     65
        522.46   1.308     81
        518.07   1.297     86
        515.38   1.290     93
        513.67   1.286     74
        510.01   1.277     50
        508.54   1.273     76
        505.98   1.267     49
        503.30   1.260     51
        499.15   1.249     40
        469.60   1.176     35
        462.52   1.158     51
        459.72   1.151     39
        457.40   1.145     47
        455.08   1.139     45
        452.15   1.132     35
        449.83   1.126     40
        362.43   0.907    628
        355.96   0.891    617
        354.86   0.888    539
        347.66   0.870    233
    

in CDCl3



liquid film