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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 T 111.11 108.76
2 S 157.13 153.72
3 D 74.56 81.8
5 S 170.15 170.08
6 Q 21.00 21.07
8 T 35.73 38.19
9 D 47.78 48.97
10 T 45.25 39.6
11 S 49.46 40.04
12 Q 25.05 22.98
13 T 40.24 35.74
14 T 42.82 33.75
15 S 43.53 40.4
16 Q 31.90 26.85
17 Q 28.42 26.85
18 D 65.83 45.44
19 S 86.99 84.22





Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
acd_lotusv7
1 T 108.76 111.11
2 S 153.72 157.13
3 D 81.80 74.56
5 S 170.08 170.15
6 Q 21.07 21.0
8 T 38.19 35.73
9 D 48.97 47.78
10 T 39.60 45.25
11 S 40.04 49.46
12 Q 22.98 25.05
13 T 35.74 40.24
14 T 33.75 42.82
15 S 40.40 43.53
16 Q 26.85 31.9
17 Q 26.85 28.42
18 D 45.44 65.83
19 S 84.22 86.99






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