CAS:

分子式:C19H24Cl2N2O

分子量: 367.31

InChI:InChI=1S/C19H22N2O.2ClH/c1-2-13-12-21-10-8-14(13)11-18(21)19(22)16-7-9-20-17-6-4-3-5-15(16)17;;/h2-7,9,13-14,18-19,22H,1,8,10-12H2;2*1H/t13-,14-,18-,19+;;/m0../s1

InChIKey: ZDBQDNUZNQOCTH-WESSAKMQSA-N

Smiles:[C@@]1([H])(C[C@]2([H])CCN1C[C@@H]2C=C)[C@H](O)C1=CC=NC2C=CC=CC1=2.Cl.Cl

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₁₉ H₂₂ N₂ O	0.031 g : 0.5 ml DMSO-d₆
cinchonidine dihydrochloride

    Assign.     Shift(ppm)

      A             9.297
      B             9.077
      C             8.507
      D             8.177
      E             8.17
      F             7.980
      G             7.09
      J             6.535
      K             5.778
      L             5.089
      M             4.967
      N             3.98
      O             3.621
      P             3.54
      Q             3.24
      R             3.07
      S             2.72
      T          2.10 to 2.03
      U             2.00
      V             1.87
      W             1.50
     
     assigned by H-H COSY.
     The sample included H2O.
     J(A,E) = 5.5 Hz
     J(K,L) = 17.2 Hz
     J(K,M) = 10.3 Hz

     Hz     ppm     Int.

   4808.85  12.033    272
   4807.57  12.030    289
   4807.20  12.029    292
   4806.84  12.028    287
   3718.65   9.305    635
   3713.15   9.292    659
   3632.01   9.088    436
   3623.40   9.067    453
   3404.52   8.519    471
   3395.91   8.498    537
   3275.38   8.196    288
   3268.24   8.178   1000
   3262.93   8.165    664
   3260.55   8.159    344
   3260.00   8.158    344
   3196.26   7.998    287
   3188.75   7.979    408
   3180.69   7.959    239
   2611.77   6.536    653
   2317.24   5.799    182
   2310.10   5.781    314
   2303.14   5.763    191
   2300.02   5.756    198
   2292.70   5.737    178
   2042.31   5.111    506
   2025.09   5.068    455
   1990.10   4.980    516
   1979.85   4.954    492
   1449.40   3.627    206
   1448.48   3.625    214
   1447.75   3.623    212
   1447.20   3.622    209
   1446.65   3.620    210
   1445.92   3.618    214
   1445.18   3.617    215
   1444.82   3.616    210
   1444.45   3.615    205
   1438.96   3.601    175
   1438.59   3.600    177
   1414.96   3.541    289
   1403.60   3.513    170
   1290.22   3.229    173
   1229.96   3.078    169
   1094.05   2.738    169
   1093.69   2.737    173
   1093.14   2.736    175
   1092.77   2.735    175
   1092.22   2.733    177
   1091.86   2.733    175
   1090.94   2.730    172
   1090.57   2.729    171
   1090.21   2.728    171
   1089.66   2.727    171
   1088.74   2.725    170
   1088.38   2.724    169
   1086.54   2.719    169
   1085.26   2.716    169
   1084.71   2.715    171
   1084.35   2.714    170
    831.39   2.081    175
    829.93   2.077    192
    829.01   2.075    199
    828.65   2.074    203
    828.10   2.073    195
    827.18   2.070    184
    825.53   2.066    206
    824.98   2.065    214
    823.15   2.060    246
    822.60   2.059    250
    822.23   2.058    250
    821.68   2.056    249
    820.95   2.055    244
    817.84   2.047    296
    817.11   2.045    302
    816.37   2.043    300
    815.64   2.041    286
    812.71   2.034    204
    811.98   2.032    203
    811.61   2.031    205
    810.88   2.029    199
    800.07   2.002    455
    798.24   1.998    385
    797.51   1.996    376
    745.67   1.866    169
    745.30   1.865    171
    744.75   1.864    171
    744.21   1.863    171
    743.84   1.862    172
    743.47   1.861    171
    743.11   1.860    171
    599.32   1.500    200
    598.77   1.499    204
    598.22   1.497    206
    597.67   1.496    207
    597.31   1.495    205
    596.94   1.494    207
    596.57   1.493    204

in D2O

KBr disc

nujol mull

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