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网站主页CAS数据库列表 2870-71-5更多图谱溴代甲基阿托品(2870-71-5)红外图谱(IR1)

溴代甲基阿托品

产品名称 溴代甲基阿托品

CAS号2870-71-5

分子式C18H26BrNO3

分子量384.31

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  • Mass

    MS-NW-2311          
    atropine methyl bromide
    C17H23NO3 CH3Br     (Mass of molecular ion:    289)
    

       Source Temperature: 230 °C
       Sample Temperature: 210 °C
       Direct, 75 eV
    

          15.0      14.2
          17.0       1.9
          18.0       9.7
          26.0       1.0
          27.0       4.0
          28.0       4.7
          29.0       1.1
          30.0       1.5
          38.0       1.2
          39.0       7.6
          40.0       1.5
          41.0       7.1
          42.0      18.3
          43.0       1.7
          44.0       3.9
          50.0       2.1
          51.0       4.6
          52.0       2.0
          53.0       3.4
          54.0       2.2
          55.0       5.7
          56.0       3.0
          57.0       5.0
          58.0       2.8
          62.0       1.2
          63.0       3.0
          64.0       1.2
          65.0       3.8
          66.0       1.1
          67.0      12.7
          68.0       7.5
          69.0       1.2
          70.0       2.1
          76.0       1.3
          77.0       5.4
          78.0       3.0
          79.0       3.3
          80.0       3.9
          81.0       6.0
          82.0      39.7
          83.0      20.9
          84.0       2.2
          89.0       6.3
          90.0       8.1
          91.0      14.4
          92.0       2.4
          93.0       3.3
          94.0      37.0
          95.0      12.4
          96.0      16.0
          97.0       4.3
          98.0       1.3
         102.0       2.9
         103.0       6.4
         104.0       4.9
         105.0       1.6
         107.0       1.0
         108.0       5.4
         109.0       1.1
         110.0       1.1
         115.0       3.1
         118.0      16.9
         119.0       1.5
         120.0       1.3
         121.0       2.6
         122.0       4.7
         123.0      13.5
         124.0     100.0
         125.0       9.6
         136.0       1.0
         140.0       7.0
         141.0       1.3
         148.0       1.1
         150.0       1.2
         178.0       1.0
         191.0       1.9
         192.0       1.1
         193.0       1.6
         194.0       1.0
         202.0       1.3
         203.0       1.0
         204.0       1.4
         205.0       1.1
         206.0       1.0
         220.0       1.5
         259.0       6.2
         260.0       1.2
         272.0       2.0
    

400 MHz in DMSO-d6


  • 1H NMR 399.65 MHz
    C18 H26 Br N O3 0.038 g : 0.5 ml DMSO-d6
    atropine methyl bromide
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.34 B 7.30 C 5.12 D 5.000 E *1 3.985 F *2 3.90 G *2 3.83 J 3.819 K *1 3.690 L *3 3.150 M *3 3.038 N 2.56 P *4 2.24 Q *4 2.12 R *5 1.855 S *4 1.83 T *5 1.688 ASSIGNED BY C-H COSY

         Hz     ppm     Int.
    

       2949.22   7.380     45
       2948.12   7.377     65
       2946.53   7.373     40
       2942.50   7.363    106
       2940.67   7.359    251
       2939.70   7.356    249
       2933.96   7.342    864
       2929.93   7.332     99
       2928.71   7.329    117
       2927.12   7.325    146
       2923.10   7.315    122
       2921.26   7.310    104
       2920.29   7.308     80
       2917.60   7.301     96
       2916.26   7.298     77
       2914.55   7.293    120
       2911.01   7.284     63
       2908.33   7.278     53
       2051.51   5.134    124
       2046.51   5.121    197
       2045.90   5.120    200
       2041.02   5.108    128
       2003.91   5.015     78
       1998.54   5.001    142
       1993.04   4.987     78
       1605.83   4.019     48
       1600.10   4.004     54
       1596.80   3.996     79
       1595.70   3.993     79
       1591.06   3.982     85
       1589.97   3.979     78
       1586.79   3.971     78
       1580.93   3.956     74
       1561.16   3.907     83
       1557.98   3.899     83
       1554.93   3.891     84
       1533.69   3.838    198
       1528.20   3.824    234
       1524.90   3.816    144
       1519.29   3.802    117
       1485.11   3.717     70
       1479.86   3.703    103
       1474.73   3.691    128
       1469.73   3.678     92
       1464.60   3.665     52
       1258.91   3.151    820
       1214.36   3.039   1000
       1036.01   2.593     51
       1018.92   2.550    106
        897.83   2.247     43
        888.31   2.223     44
        854.25   2.138     94
        845.58   2.116     84
        833.50   2.086     40
        752.32   1.883     90
        743.77   1.862     61
        735.11   1.840    125
        721.44   1.806     35
        682.74   1.709     88
        666.02   1.667     83
    

in DMSO-d6



KBr disc



nujol mull



4880 A,200 M,powder