5934-50-9

莨菪鹼鹽酸鹽(5934-50-9)核磁图(¹HNMR)

分子式:C17H24ClNO3

分子量: 325.83

InChI:InChI=1/C17H23NO3.ClH/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12;/h2-6,13-16,19H,7-11H2,1H3;1H/t13-,14+,15+,16-;/s3

InChIKey: OJIPQOWZZMSBGY-YFSVKQOSNA-N

Smiles:O([C@H]1C[C@H]2CC[C@H](N2C)C1)C(=O)[C@@H](C1C=CC=CC=1)CO.Cl |&1:1,3,6,12,r|

¹HNMR

¹³CNMR

IR1

    Assign.     Shift(ppm)

      A             7.341
      B             7.29
      C             7.27
      D             5.126
      E     *1      4.189
      F     *1      3.85
      G     *2      3.728
      J     *2      3.595
      K             3.47
      L     *3      2.96
      M     *3      2.87
      N             2.671
      P     *4      2.15
      Q     *4      2.07
      R     *5      2.004
      S     *4      1.87
      T     *5      1.800
      U     *4      1.544

Spectral Code: 1H NMR : 400 MHz in CDCl3

       ppm   Int.  Assign.

      171.69   678      1
      135.56   567      2
      129.00  1000      3
      128.07   956      4
      127.92   494      5
       64.93   322      6
       63.70   311      7
       62.21   361      8 *
       62.13   361      9 *
       54.43   439     10
       39.11   311     11
       34.40   239     12 #
       34.25   239     13 #
       24.08   211     14 *1
       23.63   189     15 *1

Spectral Code: 13C NMR : in CDCl3