strychnine (0.18Hz/27)


FRACTIONS (manually entered): 0.038 0.962 (major structure is shown)
Rel. DFT Energies (kcal/mol): 2.828 0.000
Gaussian numbering
1H-1H Js
 -ppm- -#-   H26   H27   H28   H29   H30   H31   H32   H33   H34   H35   H36   H37   H38   H39   H40   H41   H42   H43   H44   H45   H46   H47   
  3.90 H26
  1.01 H27  10.1
  3.03 H28    -    3.4
  4.13 H29    -    3.3    - 
  4.03 H30    -     -    0.7    - 
  2.02 H31    -     -     -     -     - 
  1.96 H32    -     -     -     -     -  -12.7
  2.25 H33    -     -    4.6    -    4.1    -    0.8
  1.43 H34    -     -    2.0    -    2.0    -     -  -14.2
  7.07 H35    -     -     -     -     -     -     -     -     - 
  3.00 H36    -     -     -     -     -   12.7   6.1    -     -     - 
  3.20 H37    -     -     -     -     -    7.9   0.6    -    0.7    -   -9.1
  3.86 H38    -     -   -1.6    -    0.8    -     -     -     -     -     -     - 
  2.68 H39    -     -     -     -     -     -     -     -     -     -     -     -  -14.9
  8.25 H40    -     -     -     -     -     -     -     -     -    0.7    -     -     -     - 
  6.98 H41    -     -     -     -     -     -     -     -     -    7.6    -     -     -     -    1.1
  2.83 H42    -     -     -    3.5    -     -     -     -     -     -     -     -     -     -     -     - 
  3.16 H43    -     -     -    8.4    -     -     -     -     -     -     -     -     -     -     -     -  -17.3
  7.20 H44    -     -     -     -     -     -     -     -     -    1.3    -     -     -     -    8.2   7.3    -     - 
  6.03 H45    -     -   -2.7    -     -     -     -     -    0.8    -     -     -   -1.3    -     -     -     -     -     - 
  4.20 H46    -     -    1.3    -     -     -     -     -     -     -     -     -    1.9    -     -     -     -     -     -    5.9
  4.24 H47    -     -     -     -     -     -     -     -     -     -     -     -     -     -     -     -     -     -     -    6.9 -13.5
1H data (JH-H abs sorted)

8.25 (8.2, 1.1, 0.7)
7.20 (8.2, 7.3, 1.3)
7.07 (7.6, 1.3, 0.7)
6.98 (7.6, 7.3, 1.1)
6.03 (5.9, 2.7, 1.3, 0.8)
4.24 (13.5, 6.9)
4.20 (13.5, 5.9, 1.9, 1.3)
4.13 (8.4, 3.5, 3.3)
4.03 (4.1, 2.0, 0.8, 0.7)
3.90 (10.1)
3.86 (14.9, 1.6, 1.3, 0.8)
3.20 (9.1, 7.9, 0.7, 0.6)
3.16 (17.3, 8.4)
3.03 (4.6, 3.4, 2.0, 0.7)
3.00 (12.7, 9.1, 6.1)
2.83 (17.3, 3.5)
2.68 (14.9)
2.25 (14.2, 4.6, 4.1, 0.8)
2.02 (12.7, 12.7, 7.9)
1.96 (12.7, 6.1, 0.8, 0.6)
1.43 (14.2, 2.0, 2.0, 0.7)
1.01 (10.1, 3.4, 3.3)
13C data
 15 167.1
 19 147.2
 10 143.5
  4 132.7
 24 129.2
 23 128.9
 18 123.1
 11 121.6
 17 117.9
 14  78.0
 25  63.9
  3  61.1
  2  60.7
  1  54.0
 16  52.6
 12  49.0
  6  48.5
 20  43.2
  5  42.7
 13  33.7
  9  27.0