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This molecule without stereoconfiguration:


Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
wsu
1 Q 21.2 20.9
2 S 169.8 170.0
5 D 70.6 70.0
6 T 31.7 32.3
7 D 40.4 38.9
8 T 27.1 26.9
9 D 37.9 36.0
10 S 150.4 151.4
11 T 111.5 112.6
12 D 73.4 73.3
14 T 35.9 35.5
15 D 69.7 72.1
17 S 169.9 170.3
18 Q 21.2 20.8
20 S 46.6 46.7
21 Q 13.2 15.9
22 D 76.8 69.8
24 S 170.2 169.6
25 Q 20.8 21.0
27 D 71.7 76.6
29 S 169.1 169.2
30 Q 21.0 21.4
32 S 135.0 137.7
33 S 137.3 135.9
34 Q 14.9 12.6
35 S 39.3 39.6
36 Q 29.3 32.1
37 Q 29.3 32.1





Spectral Data   Additional Data   Download  
Type: 13C 300.0
Atom
Mult.(coupling const.)
Meas.
Shift
Prediction 0
1 Q 20.9 21.2
2 S 170.0 169.8
5 D 70.0 70.6
6 T 32.3 31.7
7 D 38.9 40.4
8 T 26.9 27.1
9 D 36.0 37.9
10 S 151.4 150.4
11 T 112.6 111.5
12 D 73.3 73.4
14 T 35.5 35.9
15 D 72.1 69.7
17 S 170.3 169.9
18 Q 20.8 21.2
20 S 46.7 46.6
21 Q 15.9 13.2
22 D 69.8 76.8
24 S 169.6 170.2
25 Q 21.0 20.8
27 D 76.6 71.7
29 S 169.2 169.1
30 Q 21.4 21.0
32 S 137.7 135.0
33 S 135.9 137.3
34 Q 12.6 14.9
35 S 39.6 39.3
36 Q 32.1 29.3
37 Q 32.1 29.3

Unassigned shifts in this spectrum:
C 13
Intensity
26.2 0.0





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