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网站主页CAS数据库列表 6530-09-2更多图谱3-氨基奎宁环盐酸盐(6530-09-2)质谱(MS)

3-氨基奎宁环盐酸盐

产品名称 3-氨基奎宁环盐酸盐

CAS号6530-09-2

分子式C7H16Cl2N2

分子量199.12

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  • Mass

    MS-NW-6157          
    3-aminoquinuclidine dihydrochloride
    C7H14N2 2HCl        (Mass of molecular ion:    126)
    

       Source Temperature: 160 °C
       Sample Temperature: 120 °C
       Direct, 75 eV
    

          15.0       5.0
          17.0       1.5
          18.0       7.6
          27.0       6.1
          28.0      11.3
          29.0       4.2
          30.0       9.4
          35.0       7.8
          36.0      66.4
          37.0       2.5
          38.0      22.1
          39.0       5.1
          40.0       1.1
          41.0       9.9
          42.0      26.2
          43.0      22.4
          44.0       5.8
          51.0       1.1
          52.0       1.0
          53.0       2.5
          54.0       3.8
          55.0       8.1
          56.0      60.5
          57.0       5.7
          58.0      33.9
          59.0       1.4
          67.0       2.1
          68.0       6.2
          69.0      24.0
          70.0     100.0
          71.0      16.5
          72.0       1.1
          80.0       2.7
          81.0       3.9
          82.0       8.6
          83.0       5.3
          84.0       6.5
          85.0       1.0
          94.0       1.8
          96.0      22.4
          97.0       5.5
          98.0       1.9
         108.0       2.9
         109.0       1.4
         110.0       1.6
         111.0       1.1
         125.0       1.8
         126.0      35.3
         127.0       4.4
    

400 MHz in D2O


  • 1H NMR 399.65 MHz
    C7 H14 N2 0.043 g : 0.5 ml D2O
    3-aminoquinuclidine dihydrochloride
    ChemicalStructure
        Assign.     Shift(ppm)
    A 4.000 B *1 3.866 C *2 3.45 D *1 3.41 E *2 3.35 F 2.498 G *3 2.15 J *3 2.09 THE SOLVENT PEAK REMOVED. ASSIGNED BY C-H COSY.

         Hz     ppm     Int.
    

       1604.86   4.016    229
       1603.88   4.014    250
       1602.42   4.010    232
       1600.95   4.006    239
       1599.12   4.002    362
       1597.66   3.998    323
       1596.19   3.994    321
       1594.73   3.991    338
       1593.87   3.989    356
       1592.41   3.985    338
       1590.94   3.981    331
       1589.60   3.978    310
       1558.59   3.900    324
       1557.25   3.897    351
       1556.52   3.895    362
       1548.58   3.875    217
       1546.26   3.870    289
       1545.41   3.867    402
       1543.33   3.862    393
       1542.60   3.860    405
       1534.67   3.841    258
       1533.33   3.837    287
       1532.59   3.835    294
       1389.04   3.476    449
       1388.06   3.474    562
       1387.21   3.472    599
       1386.35   3.469    565
       1382.69   3.460    420
       1380.62   3.455    835
       1379.88   3.453    844
       1379.15   3.451    942
       1377.93   3.448   1000
       1375.98   3.443    721
       1373.41   3.437    633
       1372.80   3.436    662
       1370.61   3.430    916
       1368.29   3.424    636
       1362.67   3.410    411
       1354.00   3.388    479
       1348.63   3.375    596
       1346.19   3.369    531
       1340.09   3.354    576
       1337.65   3.348    551
       1334.96   3.341    660
       1332.28   3.334    472
       1003.30   2.511    421
       1000.12   2.503    817
        996.95   2.495    851
        993.77   2.487    481
        869.26   2.176    419
        866.09   2.168    554
        863.28   2.161    596
        859.74   2.152    444
        858.52   2.149    538
        854.98   2.140    555
        852.29   2.133    567
        849.00   2.125    478
        846.80   2.119    381
        843.51   2.111    538
        841.80   2.107    416
        840.09   2.103    517
        838.38   2.098    403
        834.72   2.089    444
        832.64   2.084    418
        831.30   2.081    344
        829.47   2.076    379
        826.66   2.069    403
        824.22   2.063    343
    

in D2O



KBr disc



nujol mull