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This molecule with other stereoconfigurations:


Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
hose_lotusv7
1 Q 21.88 21.19
2 S 170.68 170.46
5 D 70.77 75.77
6 T 46.90 36.8
7 S 34.22 34.64
8 Q 24.86 22.98
9 T 53.57 46.5
10 S 73.90 72.6
12 D 47.30 51.89
13 T 32.90 43.37
14 S 200.88 199.5
16 S 137.29 136.9
17 Q 15.60 16.5
18 D 141.58 145.85
19 D 64.28 67.9
21 T 37.89 34.95
22 T 16.89 20.8
23 D 55.94 48.29
24 S 37.12 37.67
25 Q 20.12 17.37
26 T 41.82 40.62
27 T 18.51 18.5
28 T 44.22 41.2
29 S 34.00 33.23
30 Q 32.54 27.39
31 Q 28.92 27.39
32 D 56.68 50.74





Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
acd_lotusv7
1 Q 21.19 21.88
2 S 170.46 170.68
5 D 75.77 70.77
6 T 36.80 46.9
7 S 34.64 34.22
8 Q 22.98 24.86
9 T 46.50 53.57
10 S 72.60 73.9
12 D 51.89 47.3
13 T 43.37 32.9
14 S 199.50 200.88
16 S 136.90 137.29
17 Q 16.50 15.6
18 D 145.85 141.58
19 D 67.90 64.28
21 T 34.95 37.89
22 T 20.80 16.89
23 D 48.29 55.94
24 S 37.67 37.12
25 Q 17.37 20.12
26 T 40.62 41.82
27 T 18.50 18.51
28 T 41.20 44.22
29 S 33.23 34.0
30 Q 27.39 32.54
31 Q 27.39 28.92
32 D 50.74 56.68






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