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网站主页CAS数据库列表 55-16-3更多图谱莨菪碱(55-16-3)核磁图(1HNMR)

莨菪碱

产品名称 莨菪碱

CAS号55-16-3

分子式C17H22ClNO4

分子量339.81

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  • Mass

    MS-NW-2339          
    scopolamine hydrochloride
    C17H21NO4 HCl       (Mass of molecular ion:    303)
    

       Source Temperature: 210 °C
       Sample Temperature: 130 °C
       Direct, 75 eV
    

          15.0       3.8
          18.0       3.3
          27.0       4.4
          28.0       4.4
          29.0       2.4
          30.0       2.3
          31.0       3.2
          35.0       3.2
          36.0      28.4
          37.0       1.0
          38.0       9.2
          39.0       7.4
          40.0       1.4
          41.0      14.9
          42.0      46.0
          43.0       4.6
          44.0       6.0
          50.0       1.1
          51.0       3.7
          52.0       1.2
          53.0       3.4
          54.0       2.4
          55.0       5.9
          56.0       4.6
          57.0      13.7
          58.0       3.6
          63.0       2.1
          65.0       4.9
          66.0       2.2
          67.0       8.1
          68.0       9.1
          69.0       4.0
          70.0       5.7
          72.0       1.8
          77.0      10.5
          78.0       4.2
          79.0       7.2
          80.0       3.0
          81.0      17.1
          82.0      10.2
          83.0       3.9
          84.0       3.4
          86.0       1.7
          89.0       3.3
          90.0       5.9
          91.0      12.3
          92.0       1.9
          93.0       5.9
          94.0     100.0
          95.0      10.2
          96.0       8.6
          97.0      21.4
          98.0       3.6
         103.0      16.2
         104.0       3.9
         106.0       1.6
         107.0       3.6
         108.0      49.5
         109.0      12.3
         110.0      11.5
         111.0       3.3
         112.0       1.2
         118.0       4.9
         120.0      12.4
         121.0      10.9
         122.0       3.5
         124.0       1.2
         126.0       2.2
         136.0      35.9
         137.0      33.0
         138.0      97.6
         139.0       8.9
         154.0      36.3
         155.0       4.5
         303.0      19.1
         304.0       3.5
    

400 MHz in D2O


  • 1H NMR 399.65 MHz
    C17 H21 N O4 0.032 g : 0.5 ml D2O
    scopolamine hydrochloride
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.45 B 7.41 C 7.38 D 5.068 E 4.200 F 3.98 to 3.94 G 3.82 J 3.081 K 2.832 L 2.471 M 2.405 N 2.047 P 1.838 ASSIGNED BY C-H COSY

         Hz     ppm     Int.
    

       2982.30   7.463    235
       2980.83   7.459    241
       2975.10   7.445    267
       2974.37   7.443    277
       2968.26   7.428    151
       2966.92   7.424    164
       2961.30   7.410    156
       2955.08   7.395    266
       2953.61   7.391    383
       2946.78   7.374    207
       2945.68   7.371    212
       2030.40   5.081     80
       2030.03   5.080     80
       2025.76   5.069    143
       2025.39   5.068    142
       2020.63   5.056     80
       1681.03   4.207    125
       1677.86   4.199    125
       1676.39   4.195     99
       1667.36   4.173     78
       1597.53   3.998     81
       1596.19   3.994     81
       1590.94   3.981    176
       1589.11   3.977    292
       1587.28   3.972    284
       1582.15   3.959    168
       1580.69   3.956    153
       1579.83   3.954    151
       1575.56   3.943    209
       1527.34   3.822    177
       1524.90   3.816    296
       1521.48   3.808    214
       1233.15   3.086    186
       1229.86   3.078    192
       1131.84   2.833   1000
        997.44   2.496     69
        997.07   2.495     69
        979.98   2.453     85
        975.34   2.441     86
        970.21   2.428     76
        952.88   2.385     82
        826.29   2.068    108
        825.68   2.067    106
        809.57   2.026     85
        808.84   2.024     89
        808.35   2.023     87
        742.55   1.859    105
        742.19   1.858    104
        725.71   1.816     89
        725.22   1.815     89
        724.85   1.814     89
    

in D2O



KBr disc



nujol mull