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This molecule with other stereoconfigurations:


Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
hose_lotusv7
1 Q 14.12 13.97
2 T 22.78 22.15
3 T 31.90 32.04
4 T 29.41 28.72
5 T 29.76 29.04
6 T 29.64 29.07
7 T 29.49 29.42
8 T 29.43 29.5
9 T 29.55 29.5
10 T 29.55 29.5
11 T 29.55 29.5
12 T 29.55 29.5
13 T 29.55 29.5
14 T 29.55 29.5
15 T 29.55 29.5
16 T 29.55 29.5
17 T 29.55 29.5
18 T 29.55 29.5
19 T 29.55 29.5
20 T 29.56 29.5
21 T 29.56 29.5
22 T 29.56 29.5
23 T 29.60 29.5
24 T 29.55 29.42
25 T 29.75 29.62
26 T 29.36 29.54
27 T 29.41 29.23
28 T 29.42 29.19
29 T 29.69 29.8
30 T 28.91 33.3
31 D 130.97 130.07
32 D 130.12 130.47
33 T 25.93 26.45
34 T 30.92 33.48
35 D 73.39 75.44
37 S 163.89 167.47
39 T 66.19 65.3
41 S 167.43 171.56





Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
acd_lotusv7
1 Q 13.97 14.12
2 T 22.15 22.78
3 T 32.04 31.9
4 T 28.72 29.41
5 T 29.04 29.76
6 T 29.07 29.64
7 T 29.42 29.49
8 T 29.50 29.43
9 T 29.50 29.55
10 T 29.50 29.55
11 T 29.50 29.55
12 T 29.50 29.55
13 T 29.50 29.55
14 T 29.50 29.55
15 T 29.50 29.55
16 T 29.50 29.55
17 T 29.50 29.55
18 T 29.50 29.55
19 T 29.50 29.55
20 T 29.50 29.56
21 T 29.50 29.56
22 T 29.50 29.56
23 T 29.50 29.6
24 T 29.42 29.55
25 T 29.62 29.75
26 T 29.54 29.36
27 T 29.23 29.41
28 T 29.19 29.42
29 T 29.80 29.69
30 T 33.30 28.91
31 D 130.07 130.97
32 D 130.47 130.12
33 T 26.45 25.93
34 T 33.48 30.92
35 D 75.44 73.39
37 S 167.47 163.89
39 T 65.30 66.19
41 S 171.56 167.43






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