FRACTIONS (manually entered): 0.532 0.468 (major structure is shown)
Rel. DFT Energies (kcal/mol): 0.000 0.690

Gaussian numbering

¹H-¹H Js
 -ppm- -#-   H10   H17   H18   H20   H21   H26   H27   H28   H29   H30   H31   H32   H33   H34   H35   H36   H37   H38   H40   
  4.46 H10
  4.42 H17    - 
  2.94 H18    -     - 
  4.93 H20    -     -     - 
  3.14 H21    -     -    2.1    - 
  5.71 H26   6.5    -     -     -     - 
  4.35 H27    -    2.4    -     -     -     - 
  2.58 H28    -    0.9    -   10.2    -     -    4.7
  2.63 H29    -    0.7    -    6.5    -     -     -  -14.6
  1.95 H30   1.7  10.3    -     -     -     -     -     -     - 
  1.75 H31  10.9   2.0    -     -     -     -     -     -     -  -13.4
  4.68 H32    -     -     -    5.6    -     -    0.8    -     -     -     - 
  4.53 H33    -     -    3.6    -     -     -     -     -     -     -     -     - 
  1.93 H34    -     -     -     -    8.9    -     -     -     -     -     -   12.9    - 
  2.72 H35    -     -     -     -    0.8    -     -     -     -     -     -    3.1   0.8 -14.8
  1.13 H36    -     -     -     -     -     -     -     -     -     -     -     -    7.1    -     - 
  1.13 H37    -     -     -     -     -     -     -     -     -     -     -     -    7.1    -     -     - 
  1.13 H38    -     -     -     -     -     -     -     -     -     -     -     -    7.1    -     -     -     - 
  6.13 H40   1.9    -     -     -     -   -5.7    -     -     -     -     -     -     -     -     -     -     -     - 

¹³C-¹H Js
 -ppm- -#-   H10   H17   H18   H20   H21   H26   H27   H28   H29   H30   H31   H32   H33   H34   H35   H36   H37   H38   H40   
 78.87 C2    2.9 144.8   0.6   2.4    -     -    2.7   0.8   5.8  -6.1  -0.7    -     -     -     -     -     -     -     - 
 63.18 C3     -    4.5    -     -     -     -  158.5  -1.0  -5.0   2.9   1.2    -     -     -     -     -     -     -     - 
 39.09 C4     -    1.1    -   -1.9    -     -   -0.7 127.8 144.1    -     -    5.5    -     -     -     -     -     -     - 
 78.19 C5     -     -     -  155.7    -     -    6.6  -4.7  -1.0    -     -   -3.2    -    3.0   6.8    -     -     -     - 
 37.83 C6   -4.1  -3.1    -     -     -    2.0    -     -    0.7 133.0 130.1    -     -     -     -     -     -     -    1.6
 50.18 C7     -     -     -     -    1.7    -     -    6.2   1.4    -     -  150.6    -   -5.1  -6.0    -     -     -     - 
 67.55 C8  150.0   2.7    -     -     -   -0.6    -     -     -     -   -6.0    -    6.8    -     -     -     -     -   -2.6
 72.82 C11   4.8    -    3.1    -    1.6    -     -     -     -     -     -     -  147.7    -     -   -3.8  -3.8  -3.8    - 
 61.27 C12    -     -  170.0    -   -1.5    -     -     -     -     -     -     -   -4.4   5.2   6.5   4.2   4.2   4.2    - 
 53.33 C13    -     -   -1.4    -  175.7    -     -     -     -     -     -    3.4   7.6  -5.2  -7.4    -     -     -     - 
 35.69 C15    -     -    2.1   5.1   5.1    -     -     -     -     -     -   -2.2    -  131.3 133.7    -     -     -     - 
  8.63 C22    -     -    4.5    -     -     -     -     -     -     -     -     -   -3.2    -     -  129.4 129.4 129.4    - 
106.23 C23  -4.2    -     -     -     -  167.7    -     -     -    1.3   2.7    -     -     -     -     -     -     -    6.2
205.00 C24   4.8    -     -     -     -   -7.1    -     -     -     -     -     -     -     -     -     -     -     -    2.4
 81.22 C25  -1.3    -     -     -     -    5.7    -     -     -     -     -     -     -     -     -     -     -     -  208.1
 -ppm- -#-   H10   H17   H18   H20   H21   H26   H27   H28   H29   H30   H31   H32   H33   H34   H35   H36   H37   H38   H40

¹H data (J_H-H abs sorted)

6.13 (5.7, 1.9)
5.71 (6.5, 5.7)
4.93 (10.2, 6.5, 5.6)
4.68 (12.9, 5.6, 3.1, 0.8)
4.53 (7.1, 7.1, 3.6, 0.8)
4.46 (10.9, 6.5, 1.9, 1.7)
4.42 (10.3, 2.4, 0.9, 0.7)
4.35 (4.7, 2.4, 0.8)
3.14 (8.9, 2.1, 0.8)
2.94 (3.6, 2.1)
2.72 (14.8, 3.1, 0.8, 0.8)
2.63 (14.6, 6.5, 0.7)
2.58 (14.6, 10.2, 4.7, 0.9)
1.95 (13.4, 10.3, 1.7)
1.93 (14.8, 12.9, 8.9)
1.75 (13.4, 10.9, 2.0)
1.13 (7.1)

¹³C data

 24 205.0 (-7.1, 4.8, 2.4)
 23 106.2 (167.7, 6.2, -4.2, 2.7)
 25  81.2 (208.1, 5.7, -1.3)
  2  78.9 (144.8, -6.1, 5.8, 2.9)
  5  78.2 (155.7, 6.8, 6.6, -4.7)
 11  72.8 (147.7, 4.8, -3.8, -3.8)
  8  67.6 (150.0, 6.8, -6.0, 2.7)
  3  63.2 (158.5, -5.0, 4.5, 2.9)
 12  61.3 (170.0, 6.5, 5.2, -4.4)
 13  53.3 (175.7, 7.6, -7.4, -5.2)
  7  50.2 (150.6, 6.2, -6.0, -5.1)
  4  39.1 (144.1, 127.8, 5.5, -1.9)
  6  37.8 (133.0, 130.1, -4.1, -3.1)
 15  35.7 (133.7, 131.3, 5.1, 5.1)
 22   8.6 (129.4, 129.4, 129.4, 4.5)

12-epoxyobtusallene IV (0.30Hz/21)