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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 20.90 20.87
2 S 171.80 170.74
5 T 64.75 60.8
6 S 47.56 48.65
7 D 41.02 40.6
8 T 47.89 48.1
9 S 35.56 40.1
10 Q 23.12 24.5
11 Q 24.36 24.5
12 D 78.10 77.9
14 D 77.01 79.95
16 S 142.98 141.0
17 D 125.20 126.6
18 T 27.57 24.7
19 D 49.57 48.5
20 S 38.46 37.9
21 Q 14.97 15.68
22 T 39.80 39.02
23 T 27.16 26.4
24 D 91.35 89.94
26 D 104.98 105.21
28 D 74.68 71.17
29 T 68.43 66.0
31 D 105.22 104.33
33 T 67.06 65.45
34 D 70.23 68.7
36 D 74.45 74.55
38 D 72.55 72.0
40 D 80.30 78.8
42 D 104.41 105.28
44 D 78.25 78.3
45 T 62.23 61.1
47 D 71.53 71.7
49 D 77.95 78.4
51 D 75.07 75.1
53 D 76.21 78.0
55 D 80.28 78.0
57 D 104.59 106.39
59 D 77.86 78.77
60 T 62.95 61.1
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
hose_lotusv7
62 D 71.85 71.7
64 D 77.67 78.37
66 D 76.79 76.39
68 S 40.40 39.7
69 Q 24.04 21.7
70 Q 22.36 21.7
71 D 56.80 55.81
72 T 20.02 19.2
73 T 34.04 32.89
74 S 40.89 40.7
75 Q 17.19 18.0
76 S 40.96 42.5
77 Q 24.69 27.1
78 T 34.72 35.14
79 D 70.94 74.14





Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
acd_lotusv7
1 Q 20.87 20.9
2 S 170.74 171.8
5 T 60.80 64.75
6 S 48.65 47.56
7 D 40.60 41.02
8 T 48.10 47.89
9 S 40.10 35.56
10 Q 24.50 23.12
11 Q 24.50 24.36
12 D 77.90 78.1
14 D 79.95 77.01
16 S 141.00 142.98
17 D 126.60 125.2
18 T 24.70 27.57
19 D 48.50 49.57
20 S 37.90 38.46
21 Q 15.68 14.97
22 T 39.02 39.8
23 T 26.40 27.16
24 D 89.94 91.35
26 D 105.21 104.98
28 D 71.17 74.68
29 T 66.00 68.43
31 D 104.33 105.22
33 T 65.45 67.06
34 D 68.70 70.23
36 D 74.55 74.45
38 D 72.00 72.55
40 D 78.80 80.3
42 D 105.28 104.41
44 D 78.30 78.25
45 T 61.10 62.23
47 D 71.70 71.53
49 D 78.40 77.95
51 D 75.10 75.07
53 D 78.00 76.21
55 D 78.00 80.28
57 D 106.39 104.59
59 D 78.77 77.86
60 T 61.10 62.95
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
acd_lotusv7
62 D 71.70 71.85
64 D 78.37 77.67
66 D 76.39 76.79
68 S 39.70 40.4
69 Q 21.70 24.04
70 Q 21.70 22.36
71 D 55.81 56.8
72 T 19.20 20.02
73 T 32.89 34.04
74 S 40.70 40.89
75 Q 18.00 17.19
76 S 42.50 40.96
77 Q 27.10 24.69
78 T 35.14 34.72
79 D 74.14 70.94






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