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DL-高半胱氨酸

CAS号454-29-5

分子式C4H9NO2S

分子量135.18

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  • Mass

    MS-NW-5762          
    DL-homocysteine
    C4H9NO2S            (Mass of molecular ion:    135)
    

       Source Temperature: 180 °C
       Sample Temperature: 160 °C
       Direct, 75 eV
    

          14.0       1.2
          15.0       4.6
          16.0       1.0
          17.0       5.2
          18.0      22.3
          19.0       1.8
          25.0       1.1
          26.0       7.7
          27.0      20.3
          28.0      77.4
          29.0      17.9
          30.0      24.6
          32.0       5.6
          33.0       5.5
          34.0      10.4
          35.0       4.2
          36.0       3.0
          37.0       1.1
          38.0       2.4
          39.0       7.2
          40.0       2.6
          41.0       8.5
          42.0      28.7
          43.0      55.8
          44.0      66.8
          45.0      20.4
          46.0      11.0
          47.0      27.5
          48.0       1.1
          49.0       1.5
          51.0       1.5
          52.0       4.0
          53.0       2.4
          54.0      12.6
          55.0      15.3
          56.0     100.0
          57.0      16.3
          58.0       4.8
          59.0       5.5
          60.0       5.4
          61.0      27.8
          62.0       1.9
          63.0       1.6
          69.0       1.1
          70.0       2.6
          71.0       2.6
          72.0       6.7
          73.0      12.5
          74.0      33.7
          75.0      16.0
          83.0       4.4
          84.0       1.8
          86.0       1.5
          87.0       2.0
          88.0      12.8
          89.0      57.0
          90.0      76.8
          91.0       6.7
          92.0       4.2
          99.0       2.8
         100.0       2.0
         101.0      13.3
         102.0       1.8
         115.0       1.5
         117.0      50.9
         118.0       3.6
         119.0       2.9
         133.0       3.2
         135.0       1.6
    

400 MHz in D2O


  • 1H NMR 399.65 MHz
    C4 H9 N O2 S 0.030 g : 0.5 ml D2O
    DL-homocysteine
    ChemicalStructure
        Assign.     Shift(ppm)
    A 3.890 B 2.66 C *1 2.19 D *1 2.13 THE SOLVENT PEAK SUPPRESSED.

         Hz     ppm     Int.
    

       1561.16   3.907    611
       1555.42   3.892    693
       1553.96   3.889    803
       1548.34   3.875    631
       1089.60   2.727    119
       1083.13   2.711    167
       1081.54   2.707    164
       1076.05   2.693    490
       1069.46   2.676    582
       1067.87   2.673   1000
       1061.04   2.655    812
       1059.81   2.652    739
       1052.73   2.635    508
       1047.12   2.621    135
       1046.02   2.618    167
       1039.06   2.600    123
        893.68   2.237     81
        888.06   2.223    102
        886.84   2.220    122
        885.74   2.217    110
        881.10   2.205    132
        879.03   2.200    343
        873.29   2.186    344
        872.19   2.183    395
        870.97   2.180    379
        868.04   2.173    327
        866.46   2.169    377
        865.23   2.165    382
        864.01   2.162    352
        861.21   2.155    446
        859.99   2.152    428
        858.40   2.148    333
        853.27   2.136    475
        846.31   2.118    327
        839.48   2.101     98
        838.50   2.099    118
        838.13   2.098    118
        831.67   2.081     65
    

KBr disc



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