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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 53.10 53.1
3 S 155.80 153.4
6 S 128.30 131.12
7 S 149.30 146.5
9 Q 56.00 56.79
10 D 112.00 113.93
11 D 125.10 123.0
12 D 113.16 122.83
13 S 144.33 133.34
14 S 56.44 58.4
15 T 39.52 37.2
16 T 50.65 51.33
18 T 47.55 49.55
19 T 29.85 29.5
20 D 70.83 76.48
22 S 39.36 40.51
23 T 20.79 35.15
24 T 19.05 30.18
25 S 76.88 68.15
26 S 80.69 75.24
28 S 171.28 175.08
31 Q 52.00 53.12
32 D 81.22 82.6
34 D 63.84 65.33





Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
acd_lotusv7
1 Q 53.10 53.1
3 S 153.40 155.8
6 S 131.12 128.3
7 S 146.50 149.3
9 Q 56.79 56.0
10 D 113.93 112.0
11 D 123.00 125.1
12 D 122.83 113.16
13 S 133.34 144.33
14 S 58.40 56.44
15 T 37.20 39.52
16 T 51.33 50.65
18 T 49.55 47.55
19 T 29.50 29.85
20 D 76.48 70.83
22 S 40.51 39.36
23 T 35.15 20.79
24 T 30.18 19.05
25 S 68.15 76.88
26 S 75.24 80.69
28 S 175.08 171.28
31 Q 53.12 52.0
32 D 82.60 81.22
34 D 65.33 63.84






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