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贲亭酸甲酯

产品名称 贲亭酸甲酯

CAS号63721-05-1

分子式C8H14O2

分子量142.2

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  • Mass

    MS-IW-4050          
    methyl 3,3-dimethyl-4-pentenoate
    C8H14O2             (Mass of molecular ion:    142)
    

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

          15.0      10.1
          27.0       9.6
          28.0       2.5
          29.0       6.9
          31.0       2.2
          39.0      14.2
          40.0       3.7
          41.0      72.9
          42.0       6.0
          43.0      20.1
          44.0       1.1
          45.0       2.0
          51.0       2.1
          52.0       1.0
          53.0       9.2
          54.0       2.3
          55.0      39.7
          56.0       4.2
          57.0       1.0
          59.0      21.3
          65.0       2.6
          66.0       1.0
          67.0      31.3
          68.0      12.6
          69.0     100.0
          70.0       7.3
          71.0       1.6
          73.0       7.1
          74.0      29.7
          75.0       1.5
          79.0       1.9
          80.0       1.0
          81.0       3.6
          82.0      75.5
          83.0      39.6
          84.0       2.5
          85.0      32.5
          86.0       2.2
          87.0       3.5
          95.0      13.8
          96.0       1.0
          99.0       1.8
         101.0       2.2
         109.0       1.9
         110.0      33.1
         111.0      28.1
         112.0       2.2
         114.0       1.0
         127.0      10.5
         142.0       5.0
    

400 MHz in CDCl3


  • 1H NMR 399.65 MHz
    C8 H14 O2 0.05 ml : 0.5 ml CDCl3
    methyl 3,3-dimethyl-4-pentenoate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 5.894 B 4.973 C 4.940 D 3.635 E 2.306 F 1.133 J(A,B)=17.4HZ J(A,C)=10.6HZ

         Hz     ppm     Int.
    

       2370.12   5.931    122
       2359.50   5.904    128
       2352.66   5.887    134
       2342.04   5.861    139
       1997.07   4.998    130
       1995.85   4.994    146
       1980.47   4.956    185
       1979.49   4.954    234
       1978.52   4.951    155
       1969.73   4.929    159
       1968.63   4.926    142
       1453.00   3.636    812
        921.88   2.307    549
        452.76   1.133   1000
    

in CDCl3



liquid film