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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 Q 21.30 21.3
2 S 168.90 168.9
5 T 44.52 44.2
6 T 48.57 49.5
8 S 145.65 145.6
9 D 118.75 115.2
10 D 115.20 118.8
11 S 152.80 152.8
13 T 67.55 67.6
14 D 74.70 74.7
15 T 67.60 67.2
17 S 108.00 108.0
18 T 51.20 51.2
20 D 121.10 121.2
21 D 128.40 128.5
23 D 138.70 138.8
24 S 134.60 134.6
25 D 128.70 129.5
26 D 127.54 127.2
27 S 135.30 135.8
29 D 131.22 131.3
30 S 132.95 133.0
33 D 115.20 118.8
34 D 118.75 115.2
35 T 48.57 49.5
36 T 43.95 44.2





Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
acd_lotusv7
1 Q 21.3 21.3
2 S 168.9 168.9
5 T 44.2 44.52
6 T 49.5 48.57
8 S 145.6 145.65
9 D 115.2 118.75
10 D 118.8 115.2
11 S 152.8 152.8
13 T 67.6 67.55
14 D 74.7 74.7
15 T 67.2 67.6
17 S 108.0 108.0
18 T 51.2 51.2
20 D 121.2 121.1
21 D 128.5 128.4
23 D 138.8 138.7
24 S 134.6 134.6
25 D 129.5 128.7
26 D 127.2 127.54
27 S 135.8 135.3
29 D 131.3 131.22
30 S 133.0 132.95
33 D 118.8 115.2
34 D 115.2 118.75
35 T 49.5 48.57
36 T 44.2 43.95






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