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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 17.3 17.25
2 D 30.2 30.45
3 T 28.8 29.05
4 T 32.1 31.65
5 S 109.8 110.2
7 T 66.7 66.9
9 D 90.0 89.9
10 T 31.8 35.0
11 D 53.1 48.4
12 D 32.4 32.0
13 T 32.1 32.2
14 D 121.0 121.39
15 S 141.9 140.84
16 T 43.5 42.4
17 D 71.3 71.3
19 D 32.4 31.6
20 T 37.8 37.5
21 S 37.0 36.5
22 Q 19.6 19.4
23 D 50.3 49.9
24 T 21.0 20.8
25 T 32.6 32.7
26 S 44.8 46.5
27 Q 17.2 13.5
28 S 90.1 89.5
30 D 45.2 46.49
31 Q 9.7 19.66





Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
acd_lotusv7
1 Q 17.25 17.3
2 D 30.45 30.2
3 T 29.05 28.8
4 T 31.65 32.1
5 S 110.20 109.8
7 T 66.90 66.7
9 D 89.90 90.0
10 T 35.00 31.8
11 D 48.40 53.1
12 D 32.00 32.4
13 T 32.20 32.1
14 D 121.39 121.0
15 S 140.84 141.9
16 T 42.40 43.5
17 D 71.30 71.3
19 T 31.60 32.4
20 T 37.50 37.8
21 S 36.50 37.0
22 Q 19.40 19.6
23 D 49.90 50.3
24 T 20.80 21.0
25 T 32.70 32.6
26 S 46.50 44.8
27 Q 13.50 17.2
28 S 89.50 90.1
30 D 46.49 45.2
31 Q 19.66 9.7






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