51-56-9

氢溴酸后马托品(51-56-9)核磁图(¹³CNMR)

分子式:C16H22BrNO3

分子量: 356.25

InChI:InChI=1/C16H21NO3.BrH/c1-17-12-7-8-13(17)10-14(9-12)20-16(19)15(18)11-5-3-2-4-6-11;/h2-6,12-15,18H,7-10H2,1H3;1H/t12-,13+,14+,15?;

InChIKey: DWSGTFTVBLXELC-RDYJJYPNNA-N

Smiles:[C@@H]1(OC(=O)C(O)C2=CC=CC=C2)C[C@@]2([H])N(C)[C@]([H])(CC2)C1.Br |&1:0,13,17,r|

400 MHz in D2O

¹H NMR	399.65 MHz
C₁₆ H₂₁ N O₃	0.039 g : 0.5 ml D₂O
homatropine hydrobromide

    Assign.     Shift(ppm)

      A             7.49
      B             5.383
      C             5.079
      D     *1      3.83
      E     *1      3.652
      F             2.680
      G     *2      2.363
      J     *2      2.271
      K     *3   2.15 to 2.08
      L             1.86
      M     *3      1.111
     
     SOLVENT PEAK REMOVED

     Hz     ppm     Int.

   2998.29   7.503    163
   2997.56   7.501    186
   2996.46   7.498    166
   2995.61   7.496    234
   2992.92   7.489    618
   2988.16   7.477    145
   2986.82   7.474     76
   2986.08   7.472     70
   2984.86   7.469    138
   2983.64   7.466     76
   2981.93   7.462     58
   2979.74   7.456     57
   2151.61   5.384    403
   2030.03   5.080     84
   1531.01   3.831     48
   1071.04   2.680   1000
    953.98   2.388     33
    937.38   2.346     45
    933.59   2.337     31
    916.38   2.293     34
    899.78   2.252     41
    866.82   2.169     54
    850.10   2.128     52
    843.38   2.111     40
    841.80   2.107     45
    837.52   2.096     52
    836.18   2.093     53
    832.28   2.083     88
    826.66   2.069     55
    825.44   2.066     51
    751.83   1.882     43
    749.51   1.876     58
    748.41   1.873     62
    747.19   1.870     53
    737.92   1.847     30
    737.55   1.846     30
    733.03   1.835     56
    732.54   1.833     56
    732.18   1.833     56
    729.13   1.825     37
    449.58   1.125     30
    449.22   1.125     30
    442.75   1.108     45

in D2O