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惕各酸甲酯

产品名称 惕各酸甲酯

CAS号6622-76-0

分子式C6H10O2

分子量114.14

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  • Mass

    MS-NW-4266          
    methyl (E)-2-methyl-2-butenoate
    C6H10O2             (Mass of molecular ion:    114)
    

       Source Temperature: 250 °C
       Sample Temperature: 180 °C
       Reservoir, 75 eV
    

          15.0      11.3
          26.0       2.7
          27.0      21.6
          28.0       4.5
          29.0      24.9
          31.0       1.0
          38.0       1.4
          39.0      17.6
          40.0       1.7
          41.0       5.1
          43.0       4.9
          45.0       1.5
          50.0       2.5
          51.0       3.7
          52.0       1.8
          53.0      13.3
          54.0      12.6
          55.0     100.0
          56.0       5.5
          59.0       9.4
          69.0       1.5
          71.0       2.4
          81.0       2.1
          82.0      11.3
          83.0      54.8
          84.0       3.4
          99.0      14.3
         114.0      47.9
         115.0       3.4
    

400 MHz in CDCl3

90 MHz in CDCl3


  • 1H NMR 399.65 MHz
    C6 H10 O2 0.05 ml : 0.5 ml CDCl3
    methyl (E)-2-methyl-2-butenoate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 6.856 B 3.730 C 1.836 D 1.790

         Hz     ppm     Int.
    

       2751.59   6.886     34
       2750.12   6.882     34
       2745.97   6.871     41
       2744.51   6.868    103
       2743.04   6.864    101
       2741.58   6.860     40
       2738.89   6.854     42
       2737.43   6.850    103
       2735.96   6.846    101
       2734.50   6.843     39
       2730.35   6.832     36
       2728.88   6.829     34
       1490.72   3.731   1000
        736.21   1.843    221
        734.99   1.840    458
        733.76   1.837    548
        732.42   1.833    442
        731.20   1.830    212
        720.70   1.804    204
        719.60   1.801    373
        718.38   1.798    326
        717.29   1.795    136
        713.62   1.786    186
        712.52   1.783    364
        711.30   1.780    338
        710.08   1.777    155
    


  • 1H NMR 89.56 MHz
    C6 H10 O2 0.04 ml : 0.5 ml CDCl3
    methyl (E)-2-methyl-2-butenoate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 6.86 B 3.730 C 1.828 D 1.80 J(C,D)=1.2HZ

         Hz     ppm     Int.
    

        616.63   6.886     25
        611.00   6.823     27
        335.06   3.742     41
        334.06   3.731    969
        166.88   1.864     30
        165.75   1.851    126
        164.56   1.838    178
        163.69   1.828   1000
        162.19   1.811     33
        158.19   1.767     60
        157.13   1.755    134
        156.00   1.742     94
        154.81   1.729     27
    

in CDCl3



CCl4 solution



liquid film



4880 A,200 M,liquid