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This molecule with other stereoconfigurations:


Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
paper2013
1 D 69.9 69.1
2 D 35.8 36.8
3 D 71.0 74.7
4 T 40.1 40.1
5 S 122.4 123.9
6 D 132.1 132.6
7 S 138.0 144.7
8 S 169.5 169.7
9 S 119.6 123.8
10 D 117.3 114.7
11 S 131.3 135.5
12 S 155.6 158.0
13 Q 17.0 15.7
14 D 128.5 129.5
15 Q 15.3 18.4
16 D 69.0 69.4
17 D 126.7 127.6
18 T 36.6 37.9
19 T 41.3 40.7
20 D 138.3 136.6
21 D 68.2 70.5
22 D 41.5 41.9
23 T 34.8 35.2
24 D 83.4 79.4
25 Q 17.4 19.3
26 D 121.4 118.3
27 S 138.5 139.1
28 Q 13.7 15.4
29 S 98.8 100.4
30 Q 13.8 13.5
31 D 35.2 36.3
32 Q 12.4 13.0
33 T 27.3 27.8
34 Q 11.6 12.4





Spectral Data   Additional Data   Download  
Type: 13C 100
Atom
Mult.(coupling const.)
Meas.
Shift
Prediction 0
1 D 69.1 69.9
2 D 36.8 35.8
3 D 74.7 71.0
4 T 40.1 40.1
5 S 123.9 122.4
6 D 132.6 132.1
7 S 144.7 138.0
8 S 169.7 169.5
9 S 123.8 119.6
10 D 114.7 117.3
11 S 135.5 131.3
12 S 158.0 155.6
13 Q 15.7 17.0
14 D 129.5 128.5
15 Q 18.4 15.3
16 D 69.4 69.0
17 D 127.6 126.7
18 T 37.9 36.6
19 T 40.7 41.3
20 D 136.6 138.3
21 D 70.5 68.2
22 D 41.9 41.5
23 T 35.2 34.8
24 D 79.4 83.4
25 Q 19.3 17.4
26 D 118.3 121.4
27 S 139.1 138.5
28 Q 15.4 13.7
29 S 100.4 98.8
30 Q 13.5 13.8
31 D 36.3 35.2
32 Q 13.0 12.4
33 T 27.8 27.3
34 Q 12.4 11.6






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