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51-56-9

氢溴酸后马托品(51-56-9)核磁图(13CNMR)

产品名称:氢溴酸后马托品

CAS:51-56-9

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

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

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KBr disc

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nujol mull

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