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4-乙酰基丁基乙酯

产品名称 4-乙酰基丁基乙酯

CAS号13984-57-1

分子式C8H14O3

分子量158.2

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  • Mass

    MS-IW-7535          
    ethyl 5-oxohexanoate
    C8H14O3             (Mass of molecular ion:    158)
    

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

          15.0       5.1
          18.0       3.1
          26.0       3.2
          27.0      13.3
          28.0       6.5
          29.0      18.0
          31.0       4.9
          39.0       6.3
          40.0       1.8
          41.0       8.8
          42.0      20.3
          43.0     100.0
          44.0       4.7
          45.0      15.2
          46.0       1.2
          49.0       1.1
          53.0       1.2
          55.0      37.5
          56.0       1.8
          58.0       9.8
          60.0      18.2
          61.0      11.9
          67.0       1.0
          68.0       1.4
          69.0       5.2
          70.0      14.8
          71.0      10.8
          73.0      10.8
          83.0       2.2
          84.0      25.8
          85.0      37.9
          86.0       2.6
          87.0      19.4
          88.0      51.8
          89.0       3.5
          94.0       1.1
          97.0       3.7
         101.0      10.3
         111.0       1.2
         112.0      70.5
         113.0      62.4
         114.0       4.5
         115.0      10.4
         116.0       4.9
         143.0       3.2
         158.0       3.6
         159.0       1.0
    

400 MHz in CDCl3


  • 1H NMR 399.65 MHz
    C8 H14 O3 0.085 g : 0.5 ml CDCl3
    ethyl 5-oxohexanoate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 4.126 B 2.523 C 2.330 D 2.148 E 1.887 F 1.258

         Hz     ppm     Int.
    

       1659.91   4.154    154
       1652.83   4.136    425
       1645.63   4.118    419
       1638.55   4.100    155
       1015.99   2.543    181
       1008.79   2.525    343
       1001.59   2.507    199
        938.84   2.350    230
        931.52   2.331    455
        924.32   2.313    263
        858.76   2.149   1000
        768.68   1.924     65
        761.35   1.906    251
        754.15   1.888    364
        746.95   1.870    243
        739.75   1.851     51
        509.77   1.276    508
        502.69   1.258    856
        495.48   1.240    480
    

in CDCl3



liquid film