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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 Q 21.33 21.21
2 S 170.69 170.79
5 D 80.28 80.87
6 T 23.87 24.19
7 T 36.24 37.5
8 S 37.48 36.6
9 Q 24.41 15.68
10 D 54.25 55.6
11 T 18.18 18.6
12 T 35.72 32.9
13 S 39.32 39.67
14 Q 20.96 16.87
15 D 47.73 46.7
16 T 25.79 23.99
17 D 123.47 122.52
18 S 142.30 143.92
19 D 41.95 47.84
20 T 43.14 45.65
21 S 31.09 30.74
22 Q 29.98 28.48
23 Q 30.62 28.48
24 T 34.14 34.27
25 T 27.70 35.15
26 S 51.66 40.51
27 D 208.24 205.82
29 T 25.95 35.15
30 T 31.05 27.81
31 S 40.74 41.27
32 Q 20.88 26.04
33 S 38.28 37.91
34 Q 24.32 22.42
35 Q 22.88 22.42





Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
acd_lotusv7
1 Q 21.21 21.33
2 S 170.79 170.69
5 D 80.87 80.28
6 T 24.19 23.87
7 T 37.50 36.24
8 S 36.60 37.48
9 Q 15.68 24.41
10 D 55.60 54.25
11 T 18.60 18.18
12 T 32.90 35.72
13 S 39.67 39.32
14 Q 16.87 20.96
15 D 46.70 47.73
16 T 23.99 25.79
17 D 122.52 123.47
18 S 143.92 142.3
19 D 47.84 41.95
20 T 45.65 43.14
21 S 30.74 31.09
22 Q 28.48 29.98
23 Q 28.48 30.62
24 T 34.27 34.14
25 T 35.15 27.7
26 S 40.51 51.66
27 D 205.82 208.24
29 T 35.15 25.95
30 T 27.81 31.05
31 S 41.27 40.74
32 Q 26.04 20.88
33 S 37.91 38.28
34 Q 22.42 24.32
35 Q 22.42 22.88






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