1476-98-8

氢鲲盐酸盐(1476-98-8)红外图谱(IR1)

分子式:C20H27ClN2O2

分子量: 362.89

InChI:InChI=1/C20H26N2O2.ClH/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18;/h4-6,8,11,13-14,19-20,23H,3,7,9-10,12H2,1-2H3;1H/t13-,14-,19+,20-;/s3

InChIKey: MULXTQKDWYBJMO-ZAXYGKDDNA-N

Smiles:C12C=C(C=CC1=NC=CC=2[C@H](O)[C@@]1([H])C[C@]2([H])CCN1C[C@@H]2CC)OC.Cl |&1:10,12,15,21,r|

Mass

MS-NW-8996          
hydroquinidine hydrochloride
C20H26N2O2 HCl      (Mass of molecular ion:    326)

   Source Temperature: 260 °C
   Sample Temperature: 220 °C
   Direct, 75 eV

      18.0       1.7
      28.0       1.6
      29.0       2.1
      30.0       1.7
      36.0      13.1
      38.0       4.3
      41.0       8.1
      42.0       5.8
      43.0       2.0
      44.0       2.6
      53.0       1.1
      54.0       1.3
      55.0      21.3
      56.0       7.7
      57.0       1.3
      67.0       3.1
      68.0       2.3
      69.0       3.4
      70.0       5.3
      77.0       1.0
      79.0       1.0
      80.0       1.1
      81.0       1.9
      82.0      40.3
      83.0       8.6
      84.0       3.8
      94.0       1.5
      95.0       4.0
      96.0       3.3
      97.0       1.5
     108.0       2.0
     109.0       1.8
     110.0      35.1
     111.0       6.5
     112.0       1.2
     116.0       1.6
     117.0       3.4
     122.0       1.3
     123.0       1.6
     124.0       3.5
     125.0       1.5
     126.0      11.6
     127.0       1.3
     128.0       1.0
     130.0       1.0
     136.0       1.4
     138.0     100.0
     139.0      48.8
     140.0       9.1
     141.0       1.0
     145.0       2.4
     146.0       1.0
     151.0       1.1
     152.0       7.8
     153.0       1.0
     154.0       1.8
     154.5       1.0
     158.0       4.3
     159.0       4.3
     160.0      13.3
     161.0       1.7
     166.0       1.1
     168.0       3.7
     169.0       1.4
     170.0       1.3
     172.0       7.7
     173.0      14.4
     174.0       6.8
     175.0       1.1
     176.0       1.5
     183.0       1.1
     184.0       2.2
     185.0       1.3
     186.0       4.8
     187.0       3.4
     188.0       6.0
     189.0      26.4
     190.0       3.5
     196.0       2.2
     197.0       1.0
     198.0       2.3
     199.0       2.2
     200.0       2.8
     201.0      11.0
     202.0       3.6
     211.0       1.0
     212.0       1.2
     213.0       1.4
     214.0       3.4
     215.0       1.5
     222.0       1.0
     224.0       1.9
     225.0       1.0
     226.0       1.2
     227.0       1.3
     240.0       1.1
     241.0       1.0
     243.0       1.1
     251.0       1.1
     252.0       6.7
     253.0       1.8
     267.0       2.6
     268.0       1.3
     269.0       6.9
     270.0       1.7
     279.0       1.5
     281.0       1.4
     283.0       1.4
     285.0       5.3
     286.0       1.0
     295.0       1.3
     297.0      17.5
     298.0       4.0
     308.0       1.5
     309.0       5.2
     310.0       2.3
     311.0      14.7
     312.0       3.2
     324.0       1.6
     325.0       4.1
     326.0      81.1
     327.0      20.8
     328.0       2.9

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₂₀ H₂₆ N₂ O₂	0.037 g : 0.5 ml CDCl₃
hydroquinidine hydrochloride

    Assign.     Shift(ppm)

      A            11.7
      B             8.665
      C             7.692
      D             7.626
      E             6.896
      F             6.774
      G             6.507
      J             6.442
      K     *1      4.229
      L             3.513
      M     *1      3.32
      N             3.217
      P     *1      3.062
      Q     *2      3.390
      R             1.932
      S     *3      1.78
      T     *3      1.65
      U             0.953
      V     *2      0.93

     Hz     ppm     Int.

   3465.33   8.671    133
   3460.75   8.660    139
   3076.28   7.698    137
   3071.89   7.687    133
   3052.84   7.639    167
   3043.68   7.616    179
   2762.15   6.912     94
   2759.59   6.906    105
   2752.99   6.889     89
   2750.43   6.883    100
   2708.85   6.779    139
   2706.28   6.772    127
   2602.61   6.513     74
   2599.13   6.504     99
   2576.42   6.447    105
   2572.21   6.437     80
   1700.33   4.255     30
   1691.91   4.234     36
   1689.71   4.228     39
   1688.25   4.225     36
   1687.51   4.223     36
   1680.92   4.206     33
   1679.45   4.203     33
   1404.34   3.514   1000
   1344.99   3.366     37
   1344.63   3.365     37
   1332.35   3.334     59
   1331.99   3.333     59
   1321.73   3.308     51
   1317.52   3.297     50
   1316.60   3.295     50
   1316.23   3.294     50
   1315.87   3.293     50
   1295.54   3.242     37
   1286.01   3.218     76
   1276.49   3.195     38
   1229.23   3.076     42
   1217.87   3.048     38
    956.68   2.394     38
    955.03   2.390     42
    953.75   2.387     40
    953.38   2.386     40
    771.86   1.932     73
    723.14   1.810     45
    719.29   1.800     54
    718.75   1.799     54
    710.32   1.778     66
    702.63   1.759     45
    702.26   1.758     45
    701.89   1.757     44
    697.86   1.747     38
    690.90   1.729     42
    684.49   1.713     54
    677.35   1.695     82
    669.84   1.677     70
    666.18   1.667     49
    660.86   1.654     54
    657.02   1.644     47
    654.09   1.637     86
    646.76   1.619     63
    388.13   0.972    217
    380.80   0.953    444
    373.66   0.935    198
    368.16   0.922     55
    363.77   0.911     31

in CDCl3