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网站主页CAS数据库列表 110-93-0更多图谱甲基庚烯酮(110-93-0)核磁图(13CNMR)

甲基庚烯酮

产品名称 甲基庚烯酮

CAS号110-93-0

分子式C8H14O

分子量126.2

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  • Mass

    MS-NW-1300          
    6-methyl-5-hepten-2-one
    C8H14O              (Mass of molecular ion:    126)
    

       Source Temperature: 260 °C
       Sample Temperature: 180 °C
       Reservoir, 75 eV
    

          15.0       5.2
          27.0      11.0
          28.0       1.9
          29.0       6.3
          38.0       1.1
          39.0      14.3
          40.0       3.2
          41.0      53.7
          42.0       3.1
          43.0     100.0
          44.0       2.3
          45.0       1.2
          50.0       1.0
          51.0       1.9
          53.0       6.9
          54.0       1.1
          55.0      34.2
          56.0       8.7
          57.0       1.6
          58.0      18.5
          59.0       1.7
          65.0       1.5
          67.0      11.8
          68.0      14.9
          69.0      35.1
          70.0       2.1
          71.0      15.4
          72.0       1.2
          77.0       1.6
          79.0       1.2
          81.0       1.9
          82.0       2.1
          83.0       8.9
          84.0       1.5
          91.0       1.0
          93.0       9.8
         108.0      32.7
         109.0       3.3
         111.0      16.6
         112.0       1.4
         126.0      10.6
         127.0       1.0
    

400 MHz in CDCl3

90 MHz in CDCl3


  • 1H NMR 399.65 MHz
    C8 H14 O 0.05 ml : 0.5 ml CDCl3
    6-methyl-5-hepten-2-one
    ChemicalStructure
        Assign.     Shift(ppm)
    A 5.066 B 2.455 C 2.251 D 2.134 E *1 1.675 F *1 1.617

         Hz     ppm     Int.
    

       2033.20   5.088     33
       2031.86   5.085     43
       2030.40   5.081     34
       2027.47   5.074     34
       2026.12   5.070     66
       2024.66   5.067     83
       2023.32   5.063     64
       2021.85   5.060     33
       2018.92   5.052     35
       2017.58   5.049     43
       2016.11   5.045     33
        989.38   2.476    129
        982.18   2.458    256
        979.37   2.451     32
        974.61   2.439    185
        909.79   2.277     53
        902.59   2.259    124
        895.26   2.241    108
        888.31   2.223     37
        887.94   2.222     37
        887.70   2.222     37
        853.03   2.135   1000
        669.80   1.676    496
        668.58   1.673    424
        646.61   1.618    510
        646.24   1.618    506
    


  • 1H NMR 89.56 MHz
    C8 H14 O 0.04 ml : 0.5 ml CDCl3
    6-methyl-5-hepten-2-one
    ChemicalStructure
        Assign.     Shift(ppm)
    A 5.06 B 2.59 to 2.09 C 2.132 D 1.67 E 1.62

         Hz     ppm     Int.
    

        454.88   5.080     37
        453.50   5.064     48
        452.06   5.048     42
        226.31   2.527     33
        226.19   2.526     33
        219.38   2.450    113
        214.13   2.391    145
        210.25   2.348     64
        209.94   2.345     64
        204.44   2.283     79
        198.38   2.216     43
        197.44   2.205     41
        196.56   2.195     35
        195.56   2.184     32
        195.44   2.183     32
        195.00   2.178     33
        194.19   2.169     33
        194.06   2.167     33
        190.94   2.132   1000
        150.50   1.681    323
        149.44   1.669    332
        144.25   1.611    368
    

in CDCl3



CCl4 solution



liquid film



4880 A,200 M,liquid