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This molecule without stereoconfiguration:

This molecule with other stereoconfigurations:


Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
hose_lotusv7
1 Q 16.08 15.89
2 S 164.88 161.6
4 D 157.26 160.5
5 D 117.52 117.54
6 S 177.42 177.17
8 S 143.76 143.09
10 D 105.04 104.99
12 D 74.23 75.9
13 T 64.34 64.3
15 S 171.73 172.3
17 T 46.57 46.3
18 S 70.00 70.6
19 Q 28.20 27.8
21 T 46.37 45.9
22 S 174.60 174.8
25 D 69.15 71.41
27 D 76.08 77.5
29 D 75.20 75.47





Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
acd_lotusv7
1 Q 15.89 16.08
2 S 161.60 164.88
4 D 160.50 157.26
5 D 117.54 117.52
6 S 177.17 177.42
8 S 143.09 143.76
10 D 104.99 105.04
12 D 75.90 74.23
13 T 64.30 64.34
15 S 172.30 171.73
17 T 46.30 46.57
18 S 70.60 70.0
19 Q 27.80 28.2
21 T 45.90 46.37
22 S 174.80 174.6
25 D 71.41 69.15
27 D 77.50 76.08
29 D 75.47 75.2






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