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This molecule with some stereoconfiguration:


Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
hose_lotusv7
1 Q 59.90 60.7
3 S 139.07 149.4
4 S 125.20 124.18
5 S 120.51 126.2
6 S 110.05 120.89
7 S 142.99 147.18
8 S 139.71 135.69
10 T 101.17 101.51
12 S 118.50 137.31
13 D 127.76 127.97
14 D 114.68 114.67
15 S 157.90 155.25
17 D 111.25 111.37
18 S 141.58 142.79
19 S 72.75 75.9
20 Q 33.53 26.53
22 S 170.64 155.79
24 T 45.94 48.59
25 T 19.84 24.91





Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
acd_lotusv7
1 Q 60.70 59.9
3 S 149.40 139.07
4 S 124.18 125.2
5 S 126.20 120.51
6 S 120.89 110.05
7 S 147.18 142.99
8 S 135.69 139.71
10 T 101.51 101.17
12 S 137.31 118.5
13 D 127.97 127.76
14 D 114.67 114.68
15 S 155.25 157.9
17 D 111.37 111.25
18 S 142.79 141.58
19 S 75.90 72.75
20 Q 26.53 33.53
22 S 155.79 170.64
24 T 48.59 45.94
25 T 24.91 19.84






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