5984-94-1

硝化異毛果蕓香堿(5984-94-1)質(zhì)譜(MS)

產(chǎn)品名稱(chēng):硝化異毛果蕓香堿

CAS: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

    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