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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 14.29 14.46
2 D 142.39 139.33
3 S 128.37 127.55
4 Q 12.08 11.98
5 S 167.77 167.28
8 D 72.50 74.62
9 D 66.74 68.9
10 Q 18.26 18.17
12 D 104.39 104.43
14 D 83.54 83.9
15 D 78.01 80.05
17 Q 58.55 57.75
18 T 36.40 37.5
19 D 100.48 102.4
21 D 83.80 83.65
22 D 78.34 74.52
24 Q 58.38 58.9
25 T 36.60 37.2
26 D 96.95 98.52
28 D 78.97 77.8
29 T 29.69 30.18
30 T 37.35 37.4
31 S 39.11 31.33
32 Q 20.10 18.57
33 S 140.33 140.54
34 D 123.39 122.3
35 T 28.40 27.64
36 D 38.17 49.9
37 D 47.83 41.48
38 T 21.97 20.02
39 T 38.34 35.82
40 S 48.80 44.01
41 Q 15.55 18.16
42 D 54.94 51.06
43 D 79.15 77.38
44 Q 21.55 18.71
46 D 104.65 104.3
48 D 75.09 77.71
49 T 62.22 61.1
51 D 69.75 71.7
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
hose_lotusv7
53 D 73.79 76.32
55 D 75.85 74.02
57 T 20.35 27.1
58 T 33.97 34.24
59 S 84.76 85.35
61 T 39.88 39.26
63 D 69.82 69.73
64 Q 18.36 18.23
66 D 69.29 72.3
67 Q 18.41 18.41
68 D 73.54 72.39
70 D 82.27 84.06
72 Q 58.35 59.32





Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
acd_lotusv7
1 Q 14.46 14.29
2 D 139.33 142.39
3 S 127.55 128.37
4 Q 11.98 12.08
5 S 167.28 167.77
8 D 74.62 72.5
9 D 68.90 66.74
10 Q 18.17 18.26
12 D 104.43 104.39
14 D 83.90 83.54
15 D 80.05 78.01
17 Q 57.75 58.55
18 T 37.50 36.4
19 D 102.40 100.48
21 D 83.65 83.8
22 D 74.52 78.34
24 Q 58.90 58.38
25 T 37.20 36.6
26 D 98.52 96.95
28 D 77.80 78.97
29 T 30.18 29.69
30 T 37.40 37.35
31 S 31.33 39.11
32 Q 18.57 20.1
33 S 140.54 140.33
34 D 122.30 123.39
35 T 27.64 28.4
36 D 49.90 38.17
37 D 41.48 47.83
38 T 20.02 21.97
39 T 35.82 38.34
40 S 44.01 48.8
41 Q 18.16 15.55
42 D 51.06 54.94
43 D 77.38 79.15
44 Q 18.71 21.55
46 D 104.30 104.65
48 D 77.71 75.09
49 T 61.10 62.22
51 D 71.70 69.75
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
acd_lotusv7
53 D 76.32 73.79
55 D 74.02 75.85
57 T 27.10 20.35
58 T 34.24 33.97
59 S 85.35 84.76
61 T 39.26 39.88
63 D 69.73 69.82
64 Q 18.23 18.36
66 D 72.30 69.29
67 Q 18.41 18.41
68 D 72.39 73.54
70 D 84.06 82.27
72 Q 59.32 58.35






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