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网站主页CAS数据库列表 110-12-3更多图谱5-甲基-2-己酮(110-12-3)质谱(MS)

5-甲基-2-己酮

产品名称 5-甲基-2-己酮

CAS号110-12-3

分子式C7H14O

分子量114.19

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  • Mass

    MS-NW-1661          
    5-methyl-2-hexanone
    C7H14O              (Mass of molecular ion:    114)
    

       Source Temperature: 250 °C
       Sample Temperature: 180 °C
       Reservoir, 75 eV
    

          15.0       4.6
          18.0       1.0
          27.0       9.3
          28.0       1.6
          29.0       7.1
          39.0       7.0
          40.0       1.0
          41.0      13.3
          42.0       2.1
          43.0     100.0
          44.0       2.4
          53.0       1.3
          55.0       4.1
          56.0       3.8
          57.0      14.8
          58.0      50.2
          59.0      12.4
          71.0       9.6
          72.0       1.2
          81.0       4.8
          85.0       1.4
          86.0       1.2
          99.0       2.3
         114.0       4.3
    

90 MHz in CDCl3


  • 1H NMR 89.56 MHz
    C7 H14 O 0.04 ml : 0.5 ml CDCl3
    5-methyl-2-hexanone
    ChemicalStructure
        Assign.     Shift(ppm)
    A 2.418 B 2.137 C 1.64 to 1.35 D 0.89 J(A,B)=0.5HZ

         Hz     ppm     Int.
    

        224.63   2.509     63
        224.25   2.504     62
        217.25   2.426     74
        209.69   2.342     83
        191.94   2.144    578
        191.50   2.139   1000
        191.00   2.133    577
        188.56   2.106     31
        141.94   1.585     33
        140.81   1.573     47
        140.25   1.566     55
        138.81   1.550     78
        137.75   1.539     46
        137.19   1.532     47
        136.25   1.522     41
        135.19   1.510     56
        132.88   1.484     93
        131.44   1.468     90
        129.56   1.447     41
        128.38   1.434     45
        126.19   1.409     84
        124.44   1.390     37
         82.69   0.924    553
         77.13   0.862    437
    

in CDCl3



CCl4 solution



liquid film



4880 A,200 M,liquid