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阿斯巴甜

CAS号22839-47-0

分子式C14H18N2O5

分子量294.31

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  • Mass

    MS-NW-7876          
    L-alpha-aspartyl-L-phenylalanine 1-methyl ester
    C14H18N2O5          (Mass of molecular ion:    294)
    

       Source Temperature: 200 °C
       Sample Temperature: 190 °C
       Direct, 75 eV
    

          18.0       1.6
          27.0       1.8
          28.0       7.9
          39.0       2.4
          41.0       1.6
          42.0       3.0
          43.0       4.9
          44.0       1.8
          51.0       2.0
          55.0       3.0
          57.0       1.2
          60.0       1.6
          63.0       1.2
          65.0       7.1
          70.0       6.7
          77.0       3.2
          78.0       1.5
          83.0       1.6
          88.0       5.6
          89.0       2.0
          90.0       1.3
          91.0     100.0
          92.0      13.6
          97.0       9.5
         103.0       3.5
         104.0       2.3
         117.0       1.3
         118.0       1.8
         119.0       1.3
         120.0       5.7
         125.0       4.9
         128.0       1.3
         131.0       3.7
         132.0       1.0
         143.0      11.0
         144.0       1.2
         146.0       1.0
         162.0       1.0
         171.0      12.1
         172.0       1.2
         262.0      27.7
         263.0       4.7
    

400 MHz in DMSO-d6


  • 1H NMR 399.65 MHz
    C14 H18 N2 O5 0.038 g : 0.5 ml DMSO-d6
    L-alpha-aspartyl-L-phenylalanine 1-methyl ester
    ChemicalStructure
        Assign.     Shift(ppm)
    A 8.90 B 7.292 C 7.23 D 4.49 E 3.700 F 3.607 G *1 3.047 J *1 2.946 K *2 2.466 L *2 2.229

         Hz     ppm     Int.
    

       2923.13   7.315     67
       2921.60   7.311     41
       2918.70   7.304     52
       2914.73   7.294    171
       2911.99   7.287     59
       2908.63   7.278    204
       2893.98   7.242    316
       2891.08   7.235     89
       2890.01   7.232     87
       2887.57   7.226    191
       2882.23   7.212     40
       2880.71   7.209     40
       1795.65   4.494     76
       1753.23   4.387     50
       1485.90   3.719     45
       1481.32   3.707     50
       1476.59   3.695     52
       1472.17   3.684     46
       1441.65   3.608   1000
       1229.10   3.076     37
       1223.60   3.062     41
       1215.36   3.042     68
       1209.87   3.028     61
       1187.29   2.971     65
       1178.44   2.949     69
       1173.40   2.937     44
       1164.70   2.915     40
        997.62   2.497     61
        996.55   2.494     53
        991.82   2.482     46
        980.07   2.453     56
        975.65   2.442     52
        901.79   2.257     48
        892.49   2.234     49
        885.62   2.216     39
        876.16   2.193     36
    

in DMSO-d6



KBr disc



nujol mull



4880 A,200 M,powder