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4,4-二甲氧基-2-丁酮

产品名称 4,4-二甲氧基-2-丁酮

CAS号5436-21-5

分子式C6H12O3

分子量132.16

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  • Mass

    MS-NW-1041          
    4,4-dimethoxy-2-butanone
    C6H12O3             (Mass of molecular ion:    132)
    

       Source Temperature: 250 °C
       Sample Temperature: 130 °C
       Reservoir, 75 eV
    

          14.0       1.2
          15.0      10.7
          18.0       2.0
          26.0       1.2
          27.0       5.0
          28.0       2.6
          29.0       6.5
          31.0      11.7
          32.0       3.1
          33.0       1.4
          39.0       1.5
          41.0       1.3
          42.0       4.4
          43.0     100.0
          44.0       2.5
          45.0       1.3
          47.0      11.4
          53.0       1.0
          57.0       1.6
          58.0       7.0
          59.0       6.4
          71.0       1.5
          75.0      52.5
          76.0       1.9
          85.0      24.2
          86.0       1.2
          89.0       1.1
         100.0       3.3
         101.0      12.2
         117.0       9.4
         132.0       1.4
    

90 MHz in CDCl3

parameter in CDCl3


  • 1H NMR 89.56 MHz
    C6 H12 O3 0.04 ml : 0.5 ml CDCl3
    4,4-dimethoxy-2-butanone
    ChemicalStructure
        Assign.     Shift(ppm)
    A 4.791 B 3.362 C 2.741 D 2.185

         Hz     ppm     Int.
    

        434.81   4.855     30
        429.25   4.793     63
        423.69   4.731     33
        301.06   3.362   1000
        248.25   2.772     96
        242.69   2.710     89
        195.69   2.186    349
    


  • 1H NMR 300 MHz
    C6 H12 O3 in CCl4
    4,4-dimethoxy-2-butanone
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 2.08 D(B) 2.58 D(C) 4.65 J(B,C) 5.6 D(D) 3.27 GEORGE,W.O. & MANSELL,V.G. J.CHEM.SOC. B 1968, 132

         Hz     ppm     Int.
    

       1400.62   4.669     41
       1395.02   4.650     83
       1389.44   4.631     43
        981.00   3.270   1000
        776.80   2.589    169
        771.20   2.571    166
        624.00   2.080    500
    

in CDCl3



CCl4 solution



liquid film