549-49-5

氫溴酸奎寧(549-49-5)紅外圖譜(IR1)

分子式:C20H25BrN2O2

分子量: 405.33

InChI:InChI=1/C20H24N2O2.BrH/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;/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;1H/t13-,14-,19-,20+;/s3

InChIKey: HDZGBIRSORQVNB-QJLYHTAINA-N

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

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₂₀ H₂₄ N₂ O₂	0.035 g : 0.5 ml CDCl₃
quinine hydrobromide

    Assign.     Shift(ppm)

      A             8.652
      B             7.729
      C             7.661
      D             7.026
      E             6.953
      F             6.49
      G             5.920
      J             5.530
      K             5.01
      L             5.00
      M             4.54
      N             3.697
      O             3.480
      P             3.341
      Q             3.188
      R             3.077
      S             2.71
      T             2.23
      U             2.12
      V             2.08
      W             1.88
      X             1.293

     Hz     ppm     Int.

   3459.83   8.658    127
   3455.44   8.647    132
   3091.67   7.736    162
   3082.33   7.713    178
   3065.11   7.670    138
   3060.71   7.659    131
   2812.34   7.038     95
   2809.77   7.031    109
   2803.18   7.015     89
   2800.62   7.008    107
   2776.25   6.947    151
   2773.87   6.941    134
   2594.19   6.492     99
   2593.45   6.490     99
   2383.73   5.965     66
   2380.61   5.957     66
   2380.25   5.956     66
   2228.04   5.575     38
   2221.26   5.559     42
   2217.60   5.549     44
   2210.82   5.532     87
   2204.04   5.515     48
   2200.38   5.506     52
   2193.60   5.489     51
   2011.90   5.035    124
   2006.04   5.020    132
   1995.42   4.993    206
   1995.05   4.992    207
   1816.10   4.545     38
   1815.55   4.543     38
   1814.45   4.541     39
   1813.90   4.539     39
   1813.35   4.538     38
   1812.98   4.537     38
   1812.62   4.536     38
   1811.88   4.534     39
   1475.77   3.693   1000
   1403.24   3.512     51
   1392.61   3.485     69
   1390.05   3.479     72
   1379.24   3.452     63
   1343.34   3.362     38
   1342.98   3.361     39
   1334.37   3.339     60
   1333.82   3.338     61
   1325.03   3.316     43
   1276.85   3.195     43
   1271.36   3.182     45
   1238.75   3.100     39
   1237.84   3.098     38
   1236.19   3.094     44
   1235.27   3.091     41
   1233.81   3.088     45
   1231.43   3.082     41
   1225.20   3.066     35
   1224.47   3.064     34
   1222.82   3.060     38
   1220.44   3.054     40
   1218.97   3.051     35
   1218.24   3.049     35
   1217.87   3.048     35
   1085.08   2.716     47
    890.19   2.228     41
    858.87   2.150     38
    850.81   2.129     40
    849.71   2.127     38
    848.24   2.123     34
    845.31   2.116     43
    835.97   2.092     89
    832.86   2.084     87
    830.29   2.078     78
    748.60   1.874     39
    517.26   1.295     48
    514.70   1.288     46

in CDCl3