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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 18.40 18.52
2 D 69.70 68.48
4 D 101.60 102.2
6 D 83.80 84.13
7 D 105.91 105.59
9 D 88.90 88.7
10 T 26.90 26.7
11 T 37.21 38.75
12 S 37.40 37.25
13 Q 16.13 16.4
14 D 56.40 56.1
15 T 17.94 18.3
16 T 39.68 36.05
17 S 41.43 37.5
18 Q 16.55 18.85
19 D 53.92 53.05
20 T 22.62 21.59
21 T 27.07 26.95
22 D 42.59 50.57
23 D 59.99 59.92
24 S 73.58 74.25
25 Q 27.56 26.02
27 T 44.01 44.0
28 D 121.92 127.6
29 D 142.93 141.3
30 S 70.57 70.66
31 Q 30.09 29.77
32 Q 30.09 29.77
34 S 217.46 219.43
36 T 44.93 48.42
37 S 47.11 47.7
38 T 68.65 66.85
40 D 105.12 104.72
42 D 78.75 76.76
43 T 62.89 62.77
45 D 71.86 71.65
47 D 79.04 77.09
49 D 75.50 74.55
51 S 40.10 39.8
52 Q 24.00 21.7
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
hose_lotusv7
53 Q 22.33 21.7
55 T 64.50 66.62
56 D 68.50 69.02
58 D 73.60 78.11
60 D 72.20 72.33
62 D 72.40 70.73
64 D 73.80 74.03





Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
acd_lotusv7
1 Q 18.52 18.4
2 D 68.48 69.7
4 D 102.20 101.6
6 D 84.13 83.8
7 D 105.59 105.91
9 D 88.70 88.9
10 T 26.70 26.9
11 T 38.75 37.21
12 S 37.25 37.4
13 Q 16.40 16.13
14 D 56.10 56.4
15 T 18.30 17.94
16 T 36.05 39.68
17 S 37.50 41.43
18 Q 18.85 16.55
19 D 53.05 53.92
20 T 21.59 22.62
21 T 26.95 27.07
22 D 50.57 42.59
23 D 59.92 59.99
24 S 74.25 73.58
25 Q 26.02 27.56
27 T 44.00 44.01
28 D 127.60 121.92
29 D 141.30 142.93
30 S 70.66 70.57
31 Q 29.77 30.09
32 Q 29.77 30.09
34 S 219.43 217.46
36 T 48.42 44.93
37 S 47.70 47.11
38 T 66.85 68.65
40 D 104.72 105.12
42 D 76.76 78.75
43 T 62.77 62.89
45 D 71.65 71.86
47 D 77.09 79.04
49 D 74.55 75.5
51 S 39.80 40.1
52 Q 21.70 24.0
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
acd_lotusv7
53 Q 21.70 22.33
55 T 66.62 64.5
56 D 69.02 68.5
58 D 78.11 73.6
60 D 72.33 72.2
62 D 70.73 72.4
64 D 74.03 73.8






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