FRACTIONS (manually entered): 0.797 0.203 (major structure is shown)
Rel. DFT Energies (kcal/mol): 0.000 1.831

Gaussian numbering

¹H-¹H Js
 -ppm- -#-   H14   H16   H18   H22   H26   H27   H28   H29   H30   H31   H32   H33   H34   H35   H36   H37   H38   H39   
  4.40 H14
  4.72 H16    - 
  4.46 H18    -     - 
  5.68 H22   8.4    -     - 
  6.11 H26   0.7    -     -   -5.8
  4.38 H27    -     -     -     -     - 
  2.71 H28    -    6.9    -     -     -    6.1
  2.91 H29    -    6.8    -     -     -    2.5 -14.5
  4.45 H30    -     -    6.8    -     -     -     -     - 
  2.79 H31    -     -     -     -     -     -     -     -    7.6
  2.55 H32    -     -     -     -     -     -     -     -   10.6 -13.2
  3.89 H33    -    8.9    -     -     -     -     -     -     -     -     - 
  3.93 H34    -     -     -     -     -     -     -     -     -     -     -    8.5
  2.34 H35   9.6    -    4.5    -     -     -     -     -     -     -     -     -     - 
  1.78 H36   0.6    -    1.8    -     -     -     -     -     -     -     -     -     -  -14.7
  1.50 H37    -     -     -     -     -     -     -     -     -     -     -     -    6.4    -     - 
  1.50 H38    -     -     -     -     -     -     -     -     -     -     -     -    6.4    -     -     - 
  1.50 H39    -     -     -     -     -     -     -     -     -     -     -     -    6.4    -     -     -     - 

¹³C-¹H Js
 -ppm- -#-   H14   H16   H18   H22   H26   H27   H28   H29   H30   H31   H32   H33   H34   H35   H36   H37   H38   H39   
117.17 C1     -    4.8   4.8    -     -   -1.3   2.2   3.9    -   -3.6  -3.8    -     -     -     -     -     -     - 
 54.96 C2     -    1.5    -     -     -  162.9  -1.1  -5.9    -     -    2.3    -     -     -    0.7    -     -     - 
 43.86 C3     -   -1.7    -     -     -     -  133.3 141.0    -     -     -    4.7    -     -     -     -     -     - 
 83.16 C4     -  158.4    -     -     -    5.3  -3.8  -1.6    -     -     -   -2.6   3.4    -     -     -     -     - 
 87.08 C6    3.7    -  154.5    -     -     -     -     -   -1.8   6.3   0.8    -     -   -4.8  -1.2    -     -     - 
 57.30 C7     -     -   -4.8    -     -     -     -     -  154.7  -2.3  -6.5    -     -    8.7   1.6    -     -     - 
 45.64 C8     -     -     -     -     -     -     -     -   -2.0 144.1 134.5    -     -    0.6    -     -     -     - 
 61.20 C9     -   -3.2    -     -     -     -    6.1   3.0    -     -     -  155.9  -2.5    -     -    4.7   4.7   4.7
 78.43 C10   4.3   0.9    -     -     -     -     -     -     -     -     -   -4.6 146.6    -    1.0  -4.1  -4.1  -4.1
 75.80 C12 149.1    -    7.6  -2.5  -2.5    -     -     -     -     -     -     -    5.2  -5.8  -1.4    -     -     - 
 37.95 C13  -3.5    -   -0.6   2.1   1.4    -     -     -    4.5    -     -     -     -  133.9 125.3    -     -     - 
 20.70 C20    -     -     -     -     -     -     -     -     -     -     -    1.2  -1.1    -     -  129.5 129.5 129.5
105.24 C21  -2.0    -     -  168.4   6.0    -     -     -     -     -     -     -     -    1.7   2.4    -     -     - 
204.82 C23   4.3    -     -   -6.7   2.7    -     -     -     -     -     -     -     -     -     -     -     -     - 
 80.28 C24    -     -     -    5.8 208.1    -     -     -     -     -     -     -     -     -     -     -     -     - 
 -ppm- -#-   H14   H16   H18   H22   H26   H27   H28   H29   H30   H31   H32   H33   H34   H35   H36   H37   H38   H39

¹H data (J_H-H abs sorted)

6.11 (5.8, 0.7)
5.68 (8.4, 5.8)
4.72 (8.9, 6.9, 6.8)
4.46 (6.8, 4.5, 1.8)
4.45 (10.6, 7.6, 6.8)
4.40 (9.6, 8.4, 0.7, 0.6)
4.38 (6.1, 2.5)
3.93 (8.5, 6.4, 6.4, 6.4)
3.89 (8.9, 8.5)
2.91 (14.5, 6.8, 2.5)
2.79 (13.2, 7.6)
2.71 (14.5, 6.9, 6.1)
2.55 (13.2, 10.6)
2.34 (14.7, 9.6, 4.5)
1.78 (14.7, 1.8, 0.6)
1.50 (6.4)

¹³C data

 23 204.8 (-6.7, 4.3, 2.7)
  1 117.2 (4.8, 4.8, 3.9, -3.8)
 21 105.2 (168.4, 6.0, 2.4, -2.0)
  6  87.1 (154.5, 6.3, -4.8, 3.7)
  4  83.2 (158.4, 5.3, -3.8, 3.4)
 24  80.3 (208.1, 5.8)
 10  78.4 (146.6, -4.6, 4.3, -4.1)
 12  75.8 (149.1, 7.6, -5.8, 5.2)
  9  61.2 (155.9, 6.1, 4.7, 4.7)
  7  57.3 (154.7, 8.7, -6.5, -4.8)
  2  55.0 (162.9, -5.9, 2.3, 1.5)
  8  45.6 (144.1, 134.5, -2.0, 0.6)
  3  43.9 (141.0, 133.3, 4.7, -1.7)
 13  37.9 (133.9, 125.3, 4.5, -3.5)
 20  20.7 (129.5, 129.5, 129.5, 1.2)

obtusallene V revised (0.51Hz/20)