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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 11.54 12.23
2 T 27.50 27.78
3 D 35.50 36.05
4 Q 12.45 12.83
5 D 77.10 74.69
7 S 96.65 100.42
8 T 33.92 33.05
9 T 27.81 26.94
10 D 31.20 32.74
11 Q 17.53 14.38
12 T 41.85 41.3
13 D 68.58 69.15
14 T 36.27 36.85
15 D 68.38 70.2
16 T 35.72 34.75
17 D 125.44 118.06
18 S 137.69 132.99
19 Q 11.40 11.35
20 D 83.14 81.52
22 D 93.20 101.8
23 T 34.80 37.12
24 D 79.30 71.39
26 Q 56.30 58.9
27 D 82.10 83.65
29 D 99.20 99.8
30 T 34.40 35.52
31 D 78.40 71.39
33 Q 56.40 58.9
34 D 76.00 72.73
36 D 68.20 73.57
37 Q 17.60 19.2
39 D 66.80 69.73
40 Q 17.40 18.23
42 D 39.30 41.76
43 Q 18.25 17.22
44 D 139.90 136.78
45 D 125.61 127.36
46 D 120.20 128.17
47 S 141.64 167.0
48 T 68.83 72.17
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
hose_lotusv7
50 D 82.73 80.18
51 D 67.73 65.7
53 S 136.32 133.8
54 Q 19.23 17.94
55 D 117.36 127.7
56 D 49.68 49.27
57 S 173.06 171.87
60 S 77.87 77.45





Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
acd_lotusv7
1 Q 12.23 11.54
2 T 27.78 27.5
3 D 36.05 35.5
4 Q 12.83 12.45
5 D 74.69 77.1
7 S 100.42 96.65
8 T 33.05 33.92
9 T 26.94 27.81
10 D 32.74 31.2
11 Q 14.38 17.53
12 T 41.30 41.85
13 D 69.15 68.58
14 T 36.85 36.27
15 D 70.20 68.38
16 T 34.75 35.72
17 D 118.06 125.44
18 S 132.99 137.69
19 Q 11.35 11.4
20 D 81.52 83.14
22 D 101.80 93.2
23 T 37.12 34.8
24 D 71.39 79.3
26 Q 58.90 56.3
27 D 83.65 82.1
29 D 99.80 99.2
30 T 35.52 34.4
31 D 71.39 78.4
33 Q 58.90 56.4
34 D 72.73 76.0
36 D 73.57 68.2
37 Q 19.20 17.6
39 D 69.73 66.8
40 Q 18.23 17.4
42 D 41.76 39.3
43 Q 17.22 18.25
44 D 136.78 139.9
45 D 127.36 125.61
46 D 128.17 120.2
47 S 167.00 141.64
48 T 72.17 68.83
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
acd_lotusv7
50 D 80.18 82.73
51 D 65.70 67.73
53 S 133.80 136.32
54 Q 17.94 19.23
55 D 127.70 117.36
56 D 49.27 49.68
57 S 171.87 173.06
60 S 77.45 77.87






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