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2,4,4-三甲基环戊酮

产品名称 2,4,4-三甲基环戊酮

CAS号4694-12-6

分子式C8H14O

分子量126.2

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  • Mass

    MS-IW-9713          
    2,4,4-trimethylcyclopentanone
    C8H14O              (Mass of molecular ion:    126)
    

       Source Temperature: 220 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          15.0       1.3
          18.0       1.8
          27.0      11.2
          28.0       4.3
          29.0       8.2
          38.0       1.1
          39.0      17.0
          40.0       4.6
          41.0      45.6
          42.0      25.9
          43.0       9.9
          50.0       1.2
          51.0       2.4
          52.0       1.1
          53.0       5.2
          54.0       1.3
          55.0      33.7
          56.0      68.6
          57.0      12.4
          58.0       1.6
          65.0       2.0
          67.0       4.3
          68.0       1.7
          69.0      52.7
          70.0      11.8
          71.0       1.9
          77.0       3.1
          79.0       2.1
          81.0       1.7
          82.0       1.9
          83.0     100.0
          84.0      15.2
          85.0       1.3
          91.0       8.0
          92.0       1.8
          93.0       5.3
          95.0       1.3
          97.0       1.6
         105.0       1.0
         106.0       1.5
         108.0       1.8
         109.0       1.9
         111.0       9.6
         112.0       1.0
         126.0      30.1
         127.0       3.1
    

400 MHz in CDCl3


  • 1H NMR 399.65 MHz
    C8 H14 O 0.05 ml : 0.5 ml CDCl3
    2,4,4-trimethylcyclopentanone
    ChemicalStructure
        Assign.     Shift(ppm)
    A 2.403 B *1 2.145 C *2 2.037 D *1 2.040 E *2 1.407 F *3 1.177 G 1.097 J *3 1.074

         Hz     ppm     Int.
    

        971.56   2.432     36
        965.94   2.417     33
        964.48   2.414     57
        963.13   2.410     39
        961.43   2.406     35
        959.96   2.403     44
        957.52   2.396     46
        956.05   2.393     40
        954.35   2.388     37
        953.00   2.385     61
        951.54   2.381     40
        945.92   2.367     42
        944.46   2.364     36
        872.31   2.183     47
        870.85   2.180     57
        870.12   2.178     62
        868.65   2.174     52
        854.00   2.137     96
        851.93   2.132    133
        850.34   2.128    110
        827.15   2.070     68
        824.95   2.065     69
        821.17   2.055    215
        818.73   2.049     83
        816.41   2.043     67
        814.58   2.039     81
        812.26   2.033     72
        806.03   2.017     69
        803.47   2.011    137
        574.10   1.437     88
        562.01   1.407    131
        549.93   1.377     75
        470.70   1.178   1000
        442.14   1.107    724
        435.06   1.089    712
        432.62   1.083    107
        429.44   1.075    784
    

in CDCl3



liquid film