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网站主页CAS数据库列表 13748-90-8更多图谱L-alpha-羟基异己酸(13748-90-8)核磁图(13CNMR)

L-alpha-羟基异己酸

产品名称 L-alpha-羟基异己酸

CAS号13748-90-8

分子式C6H12O3

分子量132.16

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  • Mass

    MS-NW-1959          
    L-2-hydroxy-4-methylvaleric acid
    C6H12O3             (Mass of molecular ion:    132)
    

       Source Temperature: 230 °C
       Sample Temperature: 180 °C
       Reservoir, 75 eV
    

          15.0       3.6
          17.0       2.6
          18.0      13.2
          19.0       6.8
          26.0       1.6
          27.0      25.6
          28.0       5.0
          29.0      27.5
          30.0       1.2
          31.0       4.9
          38.0       1.5
          39.0      15.4
          40.0       2.3
          41.0      58.9
          42.0       8.6
          43.0     100.0
          44.0      17.0
          45.0      50.3
          46.0       1.1
          50.0       1.0
          51.0       1.1
          53.0       3.8
          55.0       6.5
          56.0       1.3
          57.0      30.9
          58.0       6.3
          59.0       2.5
          60.0       1.4
          67.0       1.4
          69.0      99.0
          70.0       6.2
          71.0      10.7
          72.0       5.5
          73.0       3.1
          75.0       2.0
          76.0      25.7
          81.0       1.3
          85.0       4.5
          86.0       1.1
          87.0      60.0
          88.0       3.5
          89.0       1.2
          99.0       5.9
         113.0       1.3
         129.0       1.5
         139.0       1.1
    

90 MHz in CDCl3


  • 1H NMR 89.56 MHz
    C6 H12 O3 0.041 g : 0.5 ml CDCl3
    L-2-hydroxy-4-methylvaleric acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.10 B 4.295 C 1.85 D 1.64 E 0.970

         Hz     ppm     Int.
    

        391.56   4.373     80
        384.88   4.298     93
        384.25   4.291     84
        378.31   4.225     78
        165.81   1.852     47
        152.06   1.698    165
        146.19   1.633    172
        145.31   1.623    148
        139.38   1.557     79
        138.31   1.545     71
         89.81   1.003   1000
         83.69   0.935    899
    

in CDCl3



CCl4 solution



KBr disc



nujol mull



4880 A,200 M,powder