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网站主页CAS数据库列表 80-59-1更多图谱惕格酸(80-59-1)核磁图(1HNMR)

惕格酸

产品名称 惕格酸

CAS号80-59-1

分子式C5H8O2

分子量100.12

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  • Mass

    MS-IW-4270          
    (E)-2-methyl-2-butenoic acid
    C5H8O2              (Mass of molecular ion:    100)
    

       Source Temperature: 230 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          18.0       1.9
          26.0       3.6
          27.0      22.6
          28.0      10.5
          29.0      35.9
          37.0       1.0
          38.0       1.9
          39.0      25.6
          40.0       2.0
          41.0      14.1
          42.0       1.4
          43.0       7.7
          44.0       1.1
          45.0       9.0
          49.0       1.0
          50.0       4.4
          51.0       5.1
          52.0       2.0
          53.0      16.3
          54.0      23.8
          55.0      86.9
          56.0       9.6
          57.0       5.6
          58.0       1.6
          60.0       1.7
          67.0       1.0
          69.0       1.2
          71.0       1.7
          72.0       2.8
          73.0       1.8
          81.0       2.5
          82.0      22.2
          83.0      10.7
          85.0      29.1
          86.0       1.3
          99.0       3.8
         100.0     100.0
         101.0       7.9
    

400 MHz in CDCl3

90 MHz in CDCl3


  • 1H NMR 399.65 MHz
    C5 H8 O2 0.042 g : 0.5 ml CDCl3
    (E)-2-methyl-2-butenoic acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A 12. B 7.018 C 1.836 D 1.83

         Hz     ppm     Int.
    

       2816.00   7.047     20
       2814.90   7.044     25
       2810.32   7.032     39
       2808.86   7.029     75
       2807.94   7.026     66
       2806.48   7.023     37
       2803.55   7.016     39
       2802.08   7.012     72
       2801.17   7.010     65
       2799.52   7.005     22
       2798.42   7.003     22
       2796.22   6.997     23
       2794.94   6.994     28
        736.51   1.843    379
        735.23   1.840    509
        733.95   1.837   1000
        728.09   1.822    182
        726.99   1.820    332
        725.89   1.817    276
    


  • 1H NMR 89.56 MHz
    C5 H8 O2 0.046 g : 0.5 ml CDCl3
    (E)-2-methyl-2-butenoic acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A 11.97 B 7.012 C 1.85 D 1.82

         Hz     ppm     Int.
    

       1072.20  11.972     50
       1071.72  11.967     51
       1071.56  11.965     51
        638.26   7.127     30
        634.69   7.087     30
        632.78   7.066     96
        631.20   7.048    102
        629.69   7.031     61
        626.99   7.001     63
        626.12   6.992     36
        625.48   6.984    100
        623.90   6.967    105
        622.15   6.947     39
        618.42   6.906     33
        167.50   1.871    293
        166.47   1.859    722
        166.07   1.855    759
        164.96   1.842   1000
        164.40   1.836    927
        161.31   1.802    293
        160.36   1.791    552
        159.25   1.779    362
    

in CDCl3



KBr disc



nujol mull



4880 A,200 M,powder