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This molecule with other stereoconfigurations:


Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
hose_lotusv7
1 Q 31.77 33.8
2 S 211.44 213.3
4 D 60.08 58.3
5 D 74.43 74.04
7 T 37.17 38.19
8 D 52.68 46.97
9 D 43.70 45.9
10 D 46.55 41.9
11 D 30.23 33.0
12 Q 21.04 21.0
13 Q 20.74 21.0
14 T 23.00 26.94
15 T 38.80 44.08
16 S 72.39 73.29
17 Q 28.19 26.02





Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
acd_lotusv7
1 Q 33.80 31.77
2 S 213.30 211.44
4 D 58.30 60.08
5 D 74.04 74.43
7 T 38.19 37.17
8 D 46.97 52.68
9 D 45.90 43.7
10 D 41.90 46.55
11 D 33.00 30.23
12 Q 21.00 21.04
13 Q 21.00 20.74
14 T 26.94 23.0
15 T 44.08 38.8
16 S 73.29 72.39
17 Q 26.02 28.19






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