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网站主页CAS数据库列表 5984-94-1更多图谱硝化异毛果芸香碱(5984-94-1)核磁图(1HNMR)

硝化异毛果芸香碱

产品名称 硝化异毛果芸香碱

CAS号5984-94-1

分子式C11H17N3O5

分子量271.27


  • Mass

    MS-NW-7587          
    isopilocarpine nitrate
    C11H16N2O2 HNO3     (Mass of molecular ion:    208)
    

       Source Temperature: 180 °C
       Sample Temperature: 150 °C
       Direct, 75 eV
    

          27.0       2.3
          28.0       2.3
          29.0       1.0
          30.0       3.0
          39.0       3.1
          41.0       5.4
          42.0       6.9
          46.0       7.7
          53.0       2.1
          54.0       3.8
          55.0       2.3
          66.0       1.2
          67.0       1.6
          68.0       2.9
          81.0       1.7
          82.0       1.7
          83.0       2.5
          94.0       1.5
          95.0     100.0
          96.0      51.5
          97.0       3.5
         109.0       1.1
         121.0       1.2
         208.0      11.3
         209.0       1.6
    

400 MHz in DMSO-d6


  • 1H NMR 399.65 MHz
    C11 H16 N2 O2 0.033 g : 0.5 ml DMSO-d6
    isopilocarpine nitrate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 9.056 B 7.590 C *1 4.410 D *1 3.902 E 3.803 F *2 3.000 G *2 2.857 J 2.698 K 2.464 L 1.623 M 0.927 J(C,D)=8.5HZ J(F,G)=-15.8HZ J(G,J)=9.4HZ J(F,J)=5.0HZ J(J,K)=9.1HZ

         Hz     ppm     Int.
    

       3619.23   9.057    185
       3033.60   7.591    173
       1770.94   4.432     84
       1763.15   4.412    114
       1762.24   4.410    121
       1754.61   4.391     93
       1567.99   3.924     97
       1559.45   3.903    144
       1551.21   3.882     95
       1520.08   3.804   1000
       1210.63   3.030     43
       1205.60   3.017     47
       1194.92   2.990     71
       1189.88   2.978     75
       1153.41   2.887     66
       1143.95   2.863     82
       1137.70   2.847     38
       1128.08   2.823     56
       1089.48   2.727     30
       1083.07   2.711     33
       1080.63   2.704     46
       1075.44   2.691     44
       1073.15   2.686     33
       1071.62   2.682     34
        994.57   2.489     50
        988.62   2.474     98
        985.57   2.467     48
        982.67   2.459     56
        979.61   2.452     83
        973.66   2.437     41
        656.28   1.643     88
        654.75   1.639     78
        650.33   1.628     83
        648.65   1.624    135
        642.85   1.609     78
        641.17   1.605     97
        634.00   1.587     32
        378.11   0.947    269
        370.64   0.928    563
        363.16   0.909    244
    

in DMSO-d6



KBr disc



nujol mull