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网站主页CAS数据库列表 63-84-3更多图谱DL-多巴(63-84-3)质谱(MS)

DL-多巴

产品名称 DL-多巴

CAS号63-84-3

分子式C9H11NO4

分子量197.19

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  • Mass

    MS-NW-0427          
    3-(3,4-dihydroxyphenyl)-DL-alanine
    C9H11NO4            (Mass of molecular ion:    197)
    

       Source Temperature: 220 °C
       Sample Temperature: 200 °C
       Direct, 75 eV
    

          27.0       1.0
          28.0       4.2
          30.0       1.2
          39.0       2.0
          43.0       1.1
          44.0       1.1
          46.0       1.0
          51.0       5.3
          52.0       1.2
          53.0       3.4
          55.0       1.4
          57.0       1.5
          63.0       1.0
          65.0       1.1
          67.0       1.2
          74.0       5.4
          75.0       2.8
          76.0       2.1
          77.0       9.0
          78.0       2.0
          79.0       1.0
         105.0       2.2
         106.0       1.2
         107.0       2.2
         123.0     100.0
         124.0      13.1
         125.0       1.3
         151.0       1.5
         152.0       3.1
         197.0       6.6
    

400 MHz in DMSO-d6


  • 1H NMR 399.65 MHz
    C9 H11 N O4 saturated in DMSO-d6
    3-(3,4-dihydroxyphenyl)-DL-alanine
    ChemicalStructure
        Assign.     Shift(ppm)
    B 6.666 C 6.622 D 6.488 F 3.31 G *1 2.96 J *1 2.68 J(G,F)=4.2Hz J(G,J)=-14.2Hz J(J,F)=8.3Hz The sample contains H2O.

         Hz     ppm     Int.
    

       2665.26   6.669    701
       2663.42   6.665    745
       2660.68   6.658    105
       2651.33   6.635    743
       2643.28   6.614   1000
       2597.67   6.500    442
       2595.65   6.495    419
       2589.61   6.480    339
       2587.78   6.476    328
       1355.25   3.392    855
       1328.87   3.326    777
       1328.51   3.325    783
       1328.14   3.324    775
       1324.29   3.314    766
       1320.26   3.304    726
       1192.23   2.984    229
       1191.86   2.983    225
       1190.03   2.978    141
       1188.38   2.974    232
       1187.83   2.973    234
       1186.19   2.969    122
       1177.94   2.948    288
       1175.75   2.942    175
       1175.01   2.941    192
       1173.91   2.938    255
       1173.55   2.937    255
       1082.88   2.710    255
       1074.64   2.689    255
       1073.17   2.686    156
       1072.81   2.685    145
       1072.26   2.683    139
       1068.78   2.675    328
       1066.94   2.670    181
       1060.53   2.654    208
       1059.98   2.653    187
       1059.07   2.650    118
    

KBr disc



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