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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 T 107.33 107.6
2 S 147.55 145.7
3 T 37.36 38.3
4 T 26.44 25.65
5 D 56.04 56.04
6 S 38.92 38.4
7 Q 17.52 15.1
8 T 38.96 39.34
9 T 20.12 18.23
10 T 38.54 38.54
11 S 45.38 44.24
12 Q 16.54 28.8
13 S 182.41 182.37
16 D 58.50 52.81
17 T 59.55 63.96





Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
acd_lotusv7
1 T 107.60 107.33
2 S 145.70 147.55
3 T 38.30 37.36
4 T 25.65 26.44
5 D 56.04 56.04
6 S 38.40 38.92
7 Q 15.10 17.52
8 T 39.34 38.96
9 T 18.23 20.12
10 T 38.54 38.54
11 S 44.24 45.38
12 Q 28.80 16.54
13 S 182.37 182.41
16 D 52.81 58.5
17 T 63.96 59.55






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