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2,2,4-三甲基环戊酮

产品名称 2,2,4-三甲基环戊酮

CAS号28056-54-4

分子式C8H14O

分子量126.2

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  • Mass

    MS-IW-9712          
    2,2,4-trimethylcyclopentanone
    C8H14O              (Mass of molecular ion:    126)
    

       Source Temperature: 230 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          18.0       1.8
          27.0       8.0
          28.0       3.4
          29.0       5.6
          38.0       1.1
          39.0      16.1
          40.0       4.3
          41.0      40.1
          42.0      11.7
          43.0       8.1
          50.0       1.0
          51.0       2.2
          52.0       1.0
          53.0       3.6
          54.0       1.2
          55.0      17.7
          56.0     100.0
          57.0       8.9
          65.0       2.1
          67.0       4.2
          68.0       2.3
          69.0      37.8
          70.0       6.1
          71.0       4.1
          77.0       4.0
          79.0       2.5
          81.0       1.7
          82.0      12.6
          83.0      18.3
          84.0       7.9
          85.0       1.0
          91.0       9.4
          92.0       1.0
          93.0      11.8
          94.0       1.0
          97.0       1.9
         105.0       2.0
         106.0       3.6
         107.0       1.1
         108.0       5.8
         109.0       3.1
         111.0      24.7
         112.0       2.0
         126.0      22.2
         127.0       2.3
    

400 MHz in CDCl3


  • 1H NMR 399.65 MHz
    C8 H14 O 0.05 ml : 0.5 ml CDCl3
    2,2,4-trimethylcyclopentanone
    ChemicalStructure
        Assign.     Shift(ppm)
    A *1 2.496 B 2.270 C *2 1.977 D *1 1.823 E *2 1.362 F 1.123 G *3 1.073 J *3 1.015

         Hz     ppm     Int.
    

       1012.57   2.534     48
       1010.38   2.529     49
       1005.13   2.516     56
       1002.93   2.510     55
        994.26   2.488     54
        991.94   2.483     55
        986.82   2.470     65
        984.50   2.464     64
        922.36   2.308     30
        917.48   2.296     39
        916.02   2.293     30
        911.01   2.280     60
        910.03   2.278     43
        904.66   2.264     50
        903.69   2.262     54
        899.78   2.252     36
        898.68   2.249     31
        897.34   2.246     38
        892.46   2.234     31
        801.03   2.005     53
        798.83   1.999     53
        794.80   1.989     49
        792.60   1.984     49
        788.33   1.973     59
        786.13   1.968     58
        782.23   1.958     53
        779.91   1.952     51
        742.68   1.859    127
        731.45   1.831    114
        724.24   1.813    113
        713.01   1.785    101
        556.03   1.392     88
        544.07   1.362    112
        531.98   1.332     75
        451.90   1.131    628
        445.43   1.115    604
        429.08   1.074   1000
        405.88   1.016    852
    

in CDCl3



liquid film