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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
2 S 190.50 194.1
3 T 43.89 44.5
4 D 79.68 78.3
5 S 130.05 129.5
6 D 118.23 117.8
7 D 115.68 115.3
8 S 145.76 145.6
10 S 145.66 145.2
12 D 114.51 114.3
14 S 163.59 164.6
15 D 103.09 97.79
16 S 164.95 161.19
18 D 111.30 112.26
19 D 128.45 128.17
20 S 113.95 124.4




Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
acd_lotusv7
2 S 194.10 190.5
3 T 44.50 43.89
4 D 78.30 79.68
5 S 129.50 130.05
6 D 117.80 118.23
7 D 115.30 115.68
8 S 145.60 145.76
10 S 145.20 145.66
12 D 114.30 114.51
14 S 164.60 163.59
15 D 97.79 103.09
16 S 161.19 164.95
18 D 112.26 111.3
19 D 128.17 128.45
20 S 124.40 113.95





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