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3-甲基-2-戊酮

产品名称 3-甲基-2-戊酮

CAS号565-61-7

分子式C6H12O

分子量100.16

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  • Mass

    MS-IW-5183          
    3-methyl-2-pentanone
    C6H12O              (Mass of molecular ion:    100)
    

       Source Temperature: 210 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          15.0       2.9
          26.0       1.0
          27.0       8.0
          28.0       2.2
          29.0      33.6
          39.0       7.1
          41.0      41.8
          42.0       4.0
          43.0     100.0
          44.0       4.4
          45.0       2.5
          53.0       1.6
          55.0       5.1
          56.0      23.5
          57.0      67.9
          58.0       3.3
          67.0       1.6
          71.0       2.4
          72.0      50.7
          73.0       2.2
          85.0       8.3
         100.0      17.6
         101.0       2.4
    

400 MHz in CDCl3

90 MHz in CDCl3


  • 1H NMR 399.65 MHz
    C6 H12 O 0.05 ml : 0.5 ml CDCl3
    3-methyl-2-pentanone
    ChemicalStructure
        Assign.     Shift(ppm)
    A 2.458 B 2.138 C *1 1.688 D *1 1.413 E 1.081 F 0.889

         Hz     ppm     Int.
    

        992.80   2.485     65
        985.96   2.468    122
        979.13   2.450    124
        972.17   2.433     67
        854.61   2.139   1000
        689.94   1.727     32
        689.21   1.725     68
        682.50   1.708     77
        681.76   1.706     76
        675.42   1.691     99
        668.70   1.674     90
        668.09   1.672     93
        661.25   1.655     81
        660.64   1.654     41
        653.93   1.637     30
        577.76   1.446     71
        570.92   1.429     86
        570.31   1.428     80
        563.96   1.412     91
        557.25   1.395     67
        556.52   1.393     73
        549.80   1.376     57
        435.42   1.090    779
        432.98   1.084     41
        428.47   1.073    755
        426.03   1.067     49
        362.43   0.907    429
        354.98   0.889    705
        352.54   0.883     41
        347.53   0.870    376
        345.09   0.864     30
    


  • 1H NMR 89.56 MHz
    C6 H12 O 0.04 ml : 0.5 ml CDCl3
    3-methyl-2-pentanone
    ChemicalStructure
        Assign.     Shift(ppm)
    A 2.43 B 2.133 C *1 1.61 D *1 1.40 E 1.082 F 0.89

         Hz     ppm     Int.
    

        222.94   2.490     44
        216.25   2.415     51
        209.38   2.338     32
        191.25   2.136   1000
        190.88   2.132    965
        152.94   1.708     46
        146.44   1.636     48
        145.38   1.624     61
        138.81   1.550     64
        138.44   1.546     69
        131.25   1.466     53
        124.44   1.390     59
        117.94   1.317     35
        100.06   1.118    562
         93.19   1.041    479
         87.13   0.973     95
         86.38   0.965    167
         85.63   0.957    115
         78.88   0.881    356
         72.63   0.811     50
         71.75   0.802     95
         70.56   0.788     61
    

in CDCl3



CCl4 solution



liquid film



4880 A,200 M,liquid