indolenine S10 - Wang (0.33Hz/15)


FRACTIONS (manually entered): 0.110 0.460 0.346 0.084 (major structure is shown)
Rel. DFT Energies (kcal/mol): 2.017 0.294 0.000 1.558
Gaussian numbering
1H-1H Js
 -ppm- -#-   H11   H12   H13   H14   H17   H20   H21   H22   H24   H25   H27   H28   H29   H30   H32   H33   
  7.33 H11
  7.15 H12   7.4
  7.32 H13   1.3   7.4
  7.59 H14   0.7   1.1   7.8
  2.68 H17    -     -     -     - 
  2.67 H20    -     -     -     -    2.2
  1.67 H21    -     -     -     -    5.8 -12.8
  4.03 H22    -     -     -     -     -    0.9    - 
  1.62 H24    -     -     -     -    1.7    -     -    1.4
  2.33 H25    -     -     -     -     -     -     -    7.1    - 
  2.42 H27    -     -     -     -     -     -     -    2.2    -  -13.7
  2.87 H28    -     -     -     -     -     -     -     -     -    7.6   6.4
  2.29 H29    -     -     -     -     -     -     -     -     -    7.5   7.0 -14.9
  3.49 H30    -     -     -     -  -13.7   3.7  12.1    -    5.5    -     -     -     - 
  5.23 H32    -     -     -     -     -     -     -     -     -     -     -   -1.4  -1.3    - 
  5.35 H33    -     -     -     -     -     -     -     -     -     -     -   -1.2  -0.8    -    0.8

13C-1H Js
 -ppm- -#-   H11   H12   H13   H14   H17   H20   H21   H22   H24   H25   H27   H28   H29   H30   H32   H33   
145.16 C1     -    8.1  -1.5   5.6    -    1.4   2.7    -     -     -     -     -     -     -     -     - 
 61.25 C2    2.2   0.6    -     -    6.7  -4.1  -2.8   3.3    -     -     -    3.5   3.5   1.8  10.2   5.1
123.00 C3  160.2   1.7   8.4  -1.4    -     -     -     -     -     -     -     -     -     -     -     - 
124.19 C4    1.0 161.1   1.6   7.4    -     -     -     -     -     -     -     -     -     -     -     - 
128.13 C5    7.3   1.7 161.1   0.9    -     -     -     -     -     -     -     -     -     -     -     - 
189.28 C6     -     -     -   -0.8  -0.6   4.7   1.1  -5.2    -    1.3   4.8    -     -     -     -     - 
155.96 C7     -     -     -     -     -    3.4   6.4    -     -    4.7   5.0  -5.8  -6.0    -     -   -2.1
 48.75 C8     -     -     -     -   -1.6 133.3 131.1    -     -     -     -     -   -0.7  -1.8  -1.0  -0.8
122.60 C9   -1.5   7.9   1.2 164.1    -     -     -     -     -     -     -     -     -     -     -     - 
157.69 C10   7.8  -1.6   8.7  -1.8    -     -     -     -     -     -     -     -     -     -     -     - 
 53.32 C16    -     -     -     -    7.2    -     -  146.1    -   -2.6  -4.9   4.4   4.3   1.4    -     - 
111.92 C18    -     -     -     -     -     -     -     -     -     -     -    4.9   5.1    -  157.6 157.5
 39.55 C19    -     -     -     -  136.3  -2.4  -4.0   6.3    -     -     -     -     -  137.7    -     - 
 33.56 C23    -     -     -     -     -     -     -   -3.0    -  130.2 133.0  -3.8  -4.5    -   -0.6    - 
 33.72 C26    -     -     -     -     -     -     -    4.7    -   -3.8  -3.3 129.6 129.2   0.6   6.6  11.4
 -ppm- -#-   H11   H12   H13   H14   H17   H20   H21   H22   H24   H25   H27   H28   H29   H30   H32   H33   
1H data (JH-H abs sorted)

7.59 (7.8, 1.1, 0.7)
7.33 (7.4, 1.3, 0.7)
7.32 (7.8, 7.4, 1.3)
7.15 (7.4, 7.4, 1.1)
5.35 (1.2, 0.8, 0.8)
5.23 (1.4, 1.3, 0.8)
4.03 (7.1, 2.2, 1.4, 0.9)
3.49 (13.7, 12.1, 5.5, 3.7)
2.87 (14.9, 7.6, 6.4, 1.4)
2.68 (13.7, 5.8, 2.2, 1.7)
2.67 (12.8, 3.7, 2.2, 0.9)
2.42 (13.7, 7.0, 6.4, 2.2)
2.33 (13.7, 7.6, 7.5, 7.1)
2.29 (14.9, 7.5, 7.0, 1.3)
1.67 (12.8, 12.1, 5.8)
1.62 (5.5, 1.7, 1.4)
13C data
  6 189.3 (-5.2, 4.8, 4.7, 1.3)
 10 157.7 (8.7, 7.8, -1.8, -1.6)
  7 156.0 (6.4, -6.0, -5.8, 5.0)
  1 145.2 (8.1, 5.6, 2.7, -1.5)
  5 128.1 (161.1, 7.3, 1.7, 0.9)
  4 124.2 (161.1, 7.4, 1.6, 1.0)
  3 123.0 (160.2, 8.4, 1.7, -1.4)
  9 122.6 (164.1, 7.9, -1.5, 1.2)
 18 111.9 (157.6, 157.5, 5.1, 4.9)
  2  61.2 (10.2, 6.7, 5.1, -4.1)
 16  53.3 (146.1, 7.2, -4.9, 4.4)
  8  48.8 (133.3, 131.1, -1.8, -1.6)
 19  39.5 (137.7, 136.3, 6.3, -4.0)
 26  33.7 (129.6, 129.2, 11.4, 6.6)
 23  33.6 (133.0, 130.2, -4.5, -3.8)