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This molecule without stereoconfiguration:


Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
hose_lotusv7
1 Q 55.39 56.18
3 D 78.00 77.45
4 T 27.89 29.94
5 T 50.34 53.01
8 D 70.27 70.55
9 D 136.12 131.5
10 D 120.12 132.2
11 S 167.75 139.27
12 D 108.60 116.2
13 S 172.58 172.62
16 S 83.86 82.54
17 T 37.87 43.2
18 D 62.24 72.55
19 T 26.50 34.83





Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
acd_lotusv7
1 Q 56.18 55.39
3 D 77.45 78.0
4 T 29.94 27.89
5 T 53.01 50.34
8 D 70.55 70.27
9 D 131.50 136.12
10 D 132.20 120.12
11 S 139.27 167.75
12 D 116.20 108.6
13 S 172.62 172.58
16 S 82.54 83.86
17 T 43.20 37.87
18 D 72.55 62.24
19 T 34.83 26.5






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