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637-21-8

盐酸后马托品(637-21-8)核磁图(1HNMR)

产品名称:盐酸后马托品

CAS:637-21-8

分子式:C16H22ClNO3

分子量: 311.8

InChI:InChI=1/C16H21NO3.ClH/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: FRMDDIJBLQNNTC-RDYJJYPNNA-N

Smiles:[C@@H]1(OC(=O)C(O)C2C=CC=CC=2)C[C@@]2([H])N(C)[C@]([H])(CC2)C1.Cl |&1:0,13,17,r|

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    Mass

    MS-IW-1022          
    homatropine hydrochloride
    C16H21NO3 HCl       (Mass of molecular ion:    275)
    

       Source Temperature: 190 °C
       Sample Temperature: 150 °C
       Direct, 75 eV
    

          30.0       1.1
          36.0       9.0
          38.0       3.2
          39.0       1.6
          41.0       3.1
          42.0       8.1
          44.0       2.2
          51.0       2.3
          53.0       1.0
          55.0       3.1
          56.0       1.6
          57.0       2.2
          65.0       1.2
          67.0      10.9
          68.0       3.0
          70.0       1.8
          77.0       9.0
          78.0       1.6
          79.0       7.0
          80.0       1.8
          81.0       2.8
          82.0      25.9
          83.0      18.0
          84.0       1.9
          90.0       1.1
          91.0       2.5
          93.0       2.2
          94.0      15.8
          95.0       8.5
          96.0      12.4
          97.0       3.1
         105.0       5.9
         106.0       4.1
         107.0       6.6
         108.0       1.7
         118.0       1.1
         122.0       1.7
         123.0       4.3
         124.0     100.0
         125.0      11.9
         140.0       5.9
         142.0      12.1
         143.0       1.1
         275.0      21.4
         276.0       4.1
    

400 MHz in D2O

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    1H NMR 399.65 MHz
    C16 H21 N O3 saturated in D2O
    homatropine hydrochloride
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.49 B 5.380 C 5.080 D *1 3.83 E *1 3.651 F 2.679 G *2 2.363 J *2 2.271 K *3 2.15 to 2.18 L 1.86 M *3 1.122 SOLVENT PEAK REMOVED

         Hz     ppm     Int.
    

       2992.92   7.489    732
       2150.15   5.381    381
       2030.52   5.081     97
       1529.79   3.828     57
       1463.01   3.661     54
       1459.35   3.652     49
       1455.57   3.643     55
       1070.68   2.680   1000
        953.98   2.388     39
        953.61   2.387     39
        941.41   2.356     36
        937.38   2.346     54
        916.50   2.294     39
        900.02   2.253     47
        866.21   2.168     65
        864.14   2.163     45
        850.34   2.128     65
        849.85   2.127     65
        843.63   2.111     48
        842.29   2.108     53
        841.92   2.107     54
        841.43   2.106     52
        838.50   2.099     63
        838.01   2.097     63
        837.65   2.096     63
        837.28   2.096     63
        836.79   2.094     63
        832.64   2.084    101
        827.03   2.070     63
        826.42   2.068     62
        752.69   1.884     61
        751.22   1.880     73
        750.61   1.879     74
        750.00   1.877     70
        748.54   1.873     59
        747.56   1.871     56
        735.96   1.842     58
        734.62   1.839     69
        734.13   1.837     69
        445.07   1.114     53
    

in D2O

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KBr disc

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nujol mull

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