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乙酰乙酸仲丁酯

产品名称 乙酰乙酸仲丁酯

CAS号13562-76-0

分子式C8H14O3

分子量158.2

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  • Mass

    MS-NW-1097          
    sec-butyl acetoacetate
    C8H14O3             (Mass of molecular ion:    158)
    

       Source Temperature: 240 °C
       Sample Temperature: 170 °C
       Reservoir, 75 eV
    

          15.0       5.8
          26.0       1.5
          27.0       9.5
          28.0       2.5
          29.0      17.0
          31.0       3.8
          39.0       4.6
          41.0      17.6
          42.0       8.0
          43.0     100.0
          44.0       3.5
          45.0      16.1
          55.0       2.8
          56.0      14.4
          57.0      21.3
          58.0       4.3
          59.0       3.5
          60.0       6.2
          61.0       1.6
          69.0       2.8
          73.0       5.7
          84.0       5.4
          85.0      42.7
          86.0       2.1
          87.0       7.7
         101.0       1.0
         102.0       6.2
         103.0      18.1
    

90 MHz in CDCl3


  • 1H NMR 89.56 MHz
    C8 H14 O3 0.04 ml : 0.5 ml CDCl3
    sec-butyl acetoacetate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 4.90 B 3.44 C 2.27 D 1.58 E 1.238 F 0.92

         Hz     ppm     Int.
    

        448.63   5.010     43
        442.44   4.941     86
        436.19   4.871     85
        429.88   4.800     47
        307.81   3.437    509
        307.38   3.433    453
        203.25   2.270   1000
        150.44   1.680     58
        148.75   1.661     53
        144.06   1.609     72
        142.63   1.593    121
        141.63   1.582     69
        136.13   1.520     88
        135.56   1.514    105
        129.06   1.442     61
        113.94   1.273    654
        107.69   1.203    626
         88.44   0.988    190
         81.38   0.909    328
         73.75   0.824    103
         72.69   0.812     59
    

in CDCl3



CCl4 solution



liquid film