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东莨菪碱氢溴酸盐

CAS号114-49-8

分子式C17H21NO4.BrH

分子量384.26

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  • Mass

    MS-IW-1045          
    scopolamine hydrobromide
    C17H21NO4 HBr 3H2O  (Mass of molecular ion:    303)
    

       Source Temperature: 170 °C
       Sample Temperature: 150 °C
       Direct, 75 eV
    

          15.0       1.0
          17.0       2.4
          18.0      13.0
          27.0       1.8
          28.0       5.7
          29.0       2.8
          30.0       2.8
          31.0       1.1
          39.0       4.3
          40.0       1.0
          41.0       9.3
          42.0      29.4
          43.0       3.6
          44.0       4.9
          51.0       2.7
          52.0       1.0
          53.0       2.4
          54.0       1.7
          55.0       5.5
          56.0       4.1
          57.0      12.4
          58.0       3.4
          63.0       2.3
          65.0       4.5
          66.0       1.9
          67.0       7.3
          68.0       8.1
          69.0       4.8
          70.0       6.1
          71.0       1.3
          72.0       1.6
          77.0       9.1
          78.0       4.3
          79.0       8.0
          80.0      27.5
          81.0      19.4
          82.0      26.7
          83.0       3.9
          84.0       3.4
          86.0       1.9
          89.0       7.3
          90.0      10.8
          91.0      12.3
          92.0       2.5
          93.0       8.2
          94.0     100.0
          95.0      11.0
          96.0       9.8
          97.0      19.3
          98.0       4.3
         102.0       1.0
         103.0      16.8
         104.0       4.0
         105.0       1.1
         106.0       3.0
         107.0       4.2
         108.0      44.6
         109.0       9.9
         110.0      12.5
         111.0       3.5
         112.0       2.0
         118.0      13.9
         119.0       1.9
         120.0      15.6
         121.0      10.5
         122.0       5.2
         123.0       1.5
         124.0       2.3
         126.0       2.6
         136.0      39.1
         137.0      24.1
         138.0      73.9
         139.0       7.1
         140.0       1.1
         148.0       1.6
         154.0      51.0
         155.0       7.9
         156.0       1.3
         214.0       1.8
         285.0       3.8
         286.0       1.4
         303.0      36.2
         304.0       7.8
         305.0       1.1
    

400 MHz in D2O


  • 1H NMR 399.65 MHz
    C17 H21 N O4 0.032 g : 0.5 ml D2O
    scopolamine hydrobromide
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.456 B 7.42 C 7.39 D 5.072 E 4.201 F 3.99 to 3.95 G 3.82 J 3.075 K 2.833 L 2.474 M 2.407 N 2.052 P 1.843 SOLVENT PEAK REMOVED. ASSIGNED BY H-H COSY.

         Hz     ppm     Int.
    

       2982.54   7.463    220
       2980.83   7.459    171
       2976.56   7.448    110
       2975.22   7.445    253
       2974.61   7.444    229
       2968.26   7.428    136
       2966.80   7.424    125
       2961.30   7.410    155
       2956.30   7.398    260
       2954.59   7.393    306
       2949.71   7.381     98
       2948.00   7.377    181
       2946.78   7.374    149
       2031.98   5.085     65
       2031.74   5.084     65
       2026.86   5.072    116
       2021.97   5.060     63
       1692.50   4.235     50
       1683.84   4.214     52
       1681.76   4.209    116
       1678.59   4.201    117
       1676.39   4.195     56
       1667.97   4.174     77
       1599.61   4.003     78
       1597.41   3.998     49
       1592.77   3.986    167
       1590.58   3.980    253
       1588.99   3.976    233
       1583.62   3.963    164
       1580.57   3.955    103
       1576.90   3.946    169
       1528.69   3.826    135
       1526.61   3.820    262
       1523.07   3.812    186
       1230.59   3.080    175
       1227.29   3.071    170
       1132.45   2.834   1000
        998.90   2.500     50
        997.80   2.497     53
        985.60   2.467     52
        981.69   2.457     60
        980.71   2.454     66
        976.07   2.443     70
        970.83   2.430     58
        958.37   2.399     50
        953.49   2.386     64
        949.22   2.376     45
        828.61   2.074     80
        828.25   2.073     81
        811.16   2.030     66
        810.79   2.029     67
        744.26   1.863     80
        727.17   1.820     68
        726.93   1.819     68
    

in D2O



KBr disc



nujol mull