Quinine hydrochloride(130-89-2) ¹³C NMR

Molecular FormulaC20H25ClN2O2

Molecular Weight360.88

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

InChIKey LBSFSRMTJJPTCW-QJLYHTAINA-N

SmilesC12C=C(C=CC=1N=CC=C2[C@@H](O)[C@]1([H])C[C@]2([H])CCN1C[C@@H]2C=C)OC.Cl |&1:10,12,15,21,r|

Request For Quotation

    Assign.     Shift(ppm)

      A             8.640
      B             7.66
      C             7.651
      D             6.935
      E             6.853
      F             6.39
      G             6.36
      J             5.527
      K             5.00
      L             5.00
      M             4.55
      N             3.641
      O             3.445
      P             3.300
      Q             3.150
      R             3.029
      S             2.70
      T             2.25
      U             2.13
      V             2.06
      W             1.85
      X             1.28
     
     J(J,L)=10.3HZ
     J(J,K)=17.2HZ
     J(J,S)=6.7HZ
     J(O,R)=13.4HZ
     J(O,S)=10.7HZ
     J(O,M)=11.9HZ
     J(Q,T)=5.3HZ
     J(S,R)=5.1HZ
     J(U,X)=13.6HZ
     J(U,P)=7.7HZ
     ASSIGNED BY H-H COSY.

Spectral Code: 1H NMR : 400 MHz in CDCl3

       ppm   Int.  Assign.

      158.14  1000      1
      146.86   425      2
      144.30   950      3
      143.48   681      4
      137.37   794      5
      131.08   419      6
      125.27   750      7
      122.19   438      8
      118.81   419      9
      117.20   450     10
       99.78   394     11
       66.02   425     12
       60.19   450     13
       57.00   538     14
       54.75   294     15
       44.14   300     16
       37.18   463     17
       26.95   400     18
       24.32   306     19
       18.16   288     20

Spectral Code: 13C NMR : in CDCl3