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This molecule with some stereoconfiguration:


Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
hose_lotusv7
1 Q 20.11 18.55
2 S 132.85 131.5
3 Q 19.92 23.8
4 D 123.15 125.2
5 T 23.28 27.1
6 T 29.08 33.2
7 D 43.81 43.9
8 S 180.05 179.5
11 D 81.55 82.0
12 T 37.43 46.2
13 S 56.10 49.9
14 Q 25.88 27.9
15 S 167.40 141.6
16 D 124.30 128.23
17 S 201.01 199.91
19 D 65.70 60.77
20 S 47.46 47.36
21 Q 28.20 22.66
22 Q 24.70 22.66
23 S 214.50 216.42
25 T 33.90 33.5
26 T 34.44 38.1
27 S 44.31 37.68
28 Q 21.30 16.6
29 D 49.24 46.09
30 T 19.22 18.15
31 T 31.45 33.2
32 S 39.83 46.63
33 Q 16.47 19.63
34 D 55.14 49.75





Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
acd_lotusv7
1 Q 18.55 20.11
2 S 131.50 132.85
3 Q 23.80 19.92
4 D 125.20 123.15
5 T 27.10 23.28
6 T 33.20 29.08
7 D 43.90 43.81
8 S 179.50 180.05
11 D 82.00 81.55
12 T 46.20 37.43
13 S 49.90 56.1
14 Q 27.90 25.88
15 S 141.60 167.4
16 D 128.23 124.3
17 S 199.91 201.01
19 D 60.77 65.7
20 S 47.36 47.46
21 Q 22.66 28.2
22 Q 22.66 24.7
23 S 216.42 214.5
25 T 33.50 33.9
26 T 38.10 34.44
27 S 37.68 44.31
28 Q 16.60 21.3
29 D 46.09 49.24
30 T 18.15 19.22
31 T 33.20 31.45
32 S 46.63 39.83
33 Q 19.63 16.47
34 D 49.75 55.14






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