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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 108.64 112.0
2 D 149.57 147.5
3 S 36.55 36.5
4 Q 24.26 28.3
5 T 38.05 36.1
6 T 17.28 17.4
7 D 57.77 56.2
8 S 36.99 37.0
9 Q 14.17 15.5
10 T 37.78 37.8
11 T 27.19 27.2
12 D 79.07 79.1
14 S 38.92 38.9
15 Q 24.06 23.95
16 Q 22.38 23.95
17 D 55.55 55.6
18 T 17.69 17.8
19 T 42.78 42.0
20 S 72.32 72.3
22 T 49.39 53.4





Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
acd_lotusv7
1 T 112.00 108.64
2 D 147.50 149.57
3 S 36.50 36.55
4 Q 28.30 24.26
5 T 36.10 38.05
6 T 17.40 17.28
7 D 56.20 57.77
8 S 37.00 36.99
9 Q 15.50 14.17
10 T 37.80 37.78
11 T 27.20 27.19
12 D 79.10 79.07
14 S 38.90 38.92
15 Q 23.95 24.06
16 Q 23.95 22.38
17 D 55.60 55.55
18 T 17.80 17.69
19 T 42.00 42.78
20 S 72.30 72.32
22 T 53.40 49.39






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