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2-羟基-2-甲基丁酸

产品名称 2-羟基-2-甲基丁酸

CAS号3739-30-8

分子式C5H10O3

分子量118.13

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  • Mass

    MS-NW-6536          
    2-hydroxy-2-methylbutyric acid
    C5H10O3             (Mass of molecular ion:    118)
    

       Source Temperature: 260 °C
       Sample Temperature: 190 °C
       Reservoir, 75 eV
    

          14.0       1.2
          15.0       7.8
          17.0       1.2
          18.0       4.7
          19.0       3.2
          26.0       3.0
          27.0      17.0
          28.0       4.2
          29.0      25.2
          31.0      11.6
          39.0       7.3
          41.0       7.9
          42.0       4.1
          43.0      71.1
          44.0       4.5
          45.0      16.4
          47.0       3.8
          50.0       1.2
          51.0       1.2
          53.0       2.8
          54.0       1.8
          55.0      56.0
          56.0       3.8
          57.0      13.7
          58.0       1.1
          61.0       3.2
          72.0       2.5
          73.0     100.0
          74.0       5.0
          75.0       1.6
          82.0       1.3
          85.0       1.3
          89.0       5.8
          90.0       1.7
         100.0       2.0
    

400 MHz in CDCl3

90 MHz in CDCl3


  • 1H NMR 399.65 MHz
    C5 H10 O3 0.048 g : 0.5 ml CDCl3
    2-hydroxy-2-methylbutyric acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.4 B *1 1.852 C *1 1.734 D 1.470 E 0.936 J(C,B)=-14.6HZ. J(C,E)=J(B,E)=7.5HZ.

         Hz     ppm     Int.
    

        752.45   1.883     55
        744.94   1.864     67
        738.53   1.848     93
        731.02   1.830     91
        723.51   1.811     29
        710.14   1.777     28
        702.63   1.759     94
        695.12   1.740    108
        688.52   1.723     67
        687.79   1.721     53
        681.20   1.705     59
        587.60   1.471   1000
        381.54   0.955    301
        374.21   0.937    614
        366.70   0.918    277
    


  • 1H NMR 89.56 MHz
    C5 H10 O3 0.048 g : 0.5 ml CDCl3
    2-hydroxy-2-methylbutyric acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.5 B 2.04 to 1.55 C 1.468 D 0.94

         Hz     ppm     Int.
    

        673.17   7.517     30
        166.54   1.860     68
        162.70   1.817     77
        160.13   1.788     39
        158.85   1.774     80
        155.52   1.737     95
        151.50   1.692     40
        148.77   1.662     54
        131.76   1.472   1000
         91.17   1.018    182
         84.08   0.939    372
         76.39   0.853    122
    

in CDCl3



KBr disc



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