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丁酰乙酸乙酯

产品名称 丁酰乙酸乙酯

CAS号3249-68-1

分子式C8H14O3

分子量158.2

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  • Mass

    MS-NW-9423          
    ethyl 3-oxohexanoate
    C8H14O3             (Mass of molecular ion:    158)
    

       Source Temperature: 250 °C
       Sample Temperature: 160 °C
       Reservoir, 75 eV
    

          15.0       2.5
          26.0       1.7
          27.0      19.9
          28.0       3.5
          29.0      44.0
          30.0       1.2
          31.0       6.6
          39.0       6.2
          40.0       1.4
          41.0      17.4
          42.0      13.4
          43.0      97.7
          44.0       3.6
          45.0       5.3
          46.0       1.0
          55.0       4.1
          56.0       2.2
          58.0       3.0
          60.0       5.6
          61.0       2.1
          69.0      10.4
          70.0       6.7
          71.0     100.0
          72.0       4.5
          73.0       1.8
          84.0       9.3
          87.0       8.4
          88.0       4.9
          97.0       1.5
         102.0       1.2
         112.0       1.4
         113.0       5.4
         115.0      13.9
         130.0       5.5
         143.0       2.0
         158.0       5.8
    

90 MHz in CDCl3


  • 1H NMR 89.56 MHz
    C8 H14 O3 0.05 ml : 0.5 ml CDCl3
    ethyl 3-oxohexanoate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 4.192 B 3.439 C 2.524 D 1.62 E 1.281 F 0.933

         Hz     ppm     Int.
    

        386.49   4.316    143
        379.31   4.236    420
        376.57   4.205     35
        372.13   4.156    438
        365.04   4.076    155
        308.04   3.440   1000
        234.22   2.616    151
        227.12   2.536    358
        219.95   2.456    253
        157.74   1.762     68
        156.71   1.750    101
        154.92   1.730     30
        149.79   1.673    192
        148.94   1.664    133
        146.46   1.636     45
        142.87   1.596    159
        141.85   1.584    190
        140.05   1.564     56
        134.92   1.507    137
        133.30   1.489     44
        128.34   1.434     47
        126.89   1.417     32
        121.77   1.360    479
        114.67   1.281    951
        109.63   1.225     74
        107.50   1.201    436
        102.88   1.149     39
         90.15   1.007    338
         85.02   0.950    121
         83.31   0.931    600
         75.62   0.845    206
         74.60   0.833    123
    

in CDCl3



liquid film