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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 14.32 13.97
2 T 23.70 22.15
3 T 33.10 32.04
4 T 29.49 28.72
5 T 29.43 28.6
6 T 29.56 28.7
7 T 29.44 29.19
8 T 29.27 29.8
9 T 33.30 33.3
10 D 132.00 130.07
11 D 131.10 131.55
12 T 33.10 28.13
13 T 33.50 32.4
14 D 134.40 130.4
15 D 130.62 140.54
16 D 72.68 72.47
18 D 54.56 63.16
19 T 69.35 69.74
21 D 104.29 103.23
23 D 72.69 77.64
24 T 62.02 62.77
26 D 71.53 71.65
28 D 74.57 76.93
30 D 74.58 73.65
33 S 174.62 171.49
35 D 72.67 68.81
37 T 34.90 31.99
38 T 26.20 25.8
39 T 28.95 29.42
40 T 29.35 29.54
41 T 29.85 29.63
42 T 29.42 29.5
43 T 29.53 29.5
44 T 29.58 29.42
45 T 29.76 29.07
46 T 29.74 29.04
47 T 29.41 28.72
48 T 32.20 32.04
49 T 23.35 22.15
50 Q 14.36 13.97





Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
acd_lotusv7
1 Q 13.97 14.32
2 T 22.15 23.7
3 T 32.04 33.1
4 T 28.72 29.49
5 T 28.60 29.43
6 T 28.70 29.56
7 T 29.19 29.44
8 T 29.80 29.27
9 T 33.30 33.3
10 D 130.07 132.0
11 D 131.55 131.1
12 T 28.13 33.1
13 T 32.40 33.5
14 D 130.40 134.4
15 D 140.54 130.62
16 D 72.47 72.68
18 D 63.16 54.56
19 T 69.74 69.35
21 D 103.23 104.29
23 D 77.64 72.69
24 T 62.77 62.02
26 D 71.65 71.53
28 D 76.93 74.57
30 D 73.65 74.58
33 S 171.49 174.62
35 D 68.81 72.67
37 T 31.99 34.9
38 T 25.80 26.2
39 T 29.42 28.95
40 T 29.54 29.35
41 T 29.63 29.85
42 T 29.50 29.42
43 T 29.50 29.53
44 T 29.42 29.58
45 T 29.07 29.76
46 T 29.04 29.74
47 T 28.72 29.41
48 T 32.04 32.2
49 T 22.15 23.35
50 Q 13.97 14.36






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