6591-63-5

Quinidine sulfate dihydrate(6591-63-5) IR2

Molecular FormulaC20H26N2O6S

Molecular Weight422.5

InChIInChI=1/2C20H24N2O2.H2O4S.2H2O/c2*1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18;1-5(2,3)4;;/h2*3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;(H2,1,2,3,4);2*1H2/t2*13-,14-,19+,20-;;;/s3

InChIKey ZHNFLHYOFXQIOW-QBXUVBLONA-N

SmilesC12C=C(C=CC=1N=CC=C2[C@H](O)[C@@]1([H])C[C@@]2(CCN1C[C@@H]2C=C)[H])OC.C12C=C(C=CC=1N=CC=C2[C@H](O)[C@@]1([H])C[C@]2([H])CCN1C[C@@H]2C=C)OC.S(=O)(=O)(O)O.O.O |&1:10,12,15,20,36,38,41,47,r|

Request For Quotation

400 MHz in CDCl3

Quinidine sulfate dihydrate(6591-63-5) IR2

¹H NMR	399.65 MHz
C₂₀ H₂₄ N₂ O₂	saturated in CDCl₃
quinidine sulfate

    Assign.     Shift(ppm)

      A             8.625
      B             7.815
      C             7.571
      D             7.254
      E             7.132
      F             6.9
      G             6.438
      J             5.930
      K             5.13
      L             5.11
      M     *1      4.25
      N             3.873
      P     *1   3.41 to 3.320
      Q             3.26
      R             3.08
      S             2.34
      T             2.23
      U             1.83
      V             1.68
      W             1.56
      X             0.81
     
     ASSIGNED BY H-H COSY.

     Hz     ppm     Int.

   3448.36   8.629    149
   3443.85   8.618    147
   3129.27   7.831     41
   3127.20   7.825    168
   3120.00   7.807     46
   3118.04   7.802    182
   3026.25   7.573    158
   3021.85   7.562    156
   2899.41   7.255    144
   2896.85   7.249    141
   2855.71   7.146    115
   2853.15   7.140    103
   2846.44   7.123    108
   2843.99   7.117     98
   2567.87   6.426    114
   2387.08   5.973     35
   2386.84   5.973     35
   2379.52   5.955     40
   2376.59   5.947     41
   2369.38   5.929     72
   2362.30   5.911     45
   2359.38   5.904     45
   2351.93   5.885     43
   2057.37   5.148    120
   2043.46   5.114    136
   2040.28   5.106    122
   2033.08   5.088    118
   1705.93   4.269     32
   1705.32   4.268     32
   1704.96   4.267     33
   1697.63   4.248     37
   1697.02   4.247     39
   1696.17   4.245     41
   1695.19   4.242     40
   1694.21   4.240     40
   1693.36   4.238     41
   1692.99   4.237     40
   1692.14   4.235     39
   1684.08   4.214     34
   1683.72   4.213     34
   1547.73   3.873   1000
   1360.11   3.404     30
   1359.74   3.403     30
   1349.61   3.377     78
   1338.13   3.349     84
   1337.65   3.348     84
   1330.32   3.329     30
   1327.51   3.322     45
   1326.90   3.321     46
   1308.72   3.275     40
   1298.95   3.251     77
   1289.67   3.227     48
   1289.31   3.227     48
   1237.30   3.096     43
   1234.25   3.089     32
   1228.03   3.073     35
   1227.66   3.072     35
   1225.10   3.066     41
    936.04   2.343     49
    935.67   2.342     48
    927.37   2.321     46
    901.73   2.257     35
    901.49   2.256     35
    889.77   2.227     48
    889.28   2.226     48
    888.79   2.224     47
    878.17   2.198     34
    731.08   1.830     77
    670.41   1.678     39
    670.04   1.677     40
    669.31   1.675     41
    668.95   1.674     41
    668.58   1.673     41
    668.09   1.672     40
    665.65   1.666     33
    634.52   1.588     30
    625.24   1.565     50
    625.00   1.564     50
    623.66   1.561     49
    623.17   1.560     48
    614.14   1.537     39
    612.30   1.533     36
    328.74   0.823     57
    327.76   0.821     52
    326.17   0.817     58
    321.78   0.806     89
    318.85   0.798     38
    317.75   0.796     38
    317.02   0.794     39
    316.65   0.793     38
    315.92   0.791     38
    314.58   0.788     45

in CDCl3