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This molecule without stereoconfiguration:

This molecule with other stereoconfigurations:


Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
hose_lotusv7
1 Q 55.80 56.0
3 S 148.70 150.0
4 D 111.10 111.59
5 D 123.70 121.5
6 S 137.80 127.97
7 D 117.00 132.4
8 S 146.70 147.0
10 S 152.90 155.6
11 D 121.38 116.7
12 D 129.68 124.1
13 S 130.28 132.34
14 D 129.68 124.1
15 D 121.38 116.7
16 T 37.88 39.3
17 D 60.59 58.5
18 S 122.60 129.11
19 S 127.61 124.1
20 D 105.83 110.48
21 S 151.11 153.49
23 Q 55.67 56.23
24 S 136.54 139.9
26 Q 60.22 61.18
27 S 147.27 145.36
29 S 143.35 147.0
30 D 119.65 111.9
31 S 126.81 129.88
32 S 130.73 126.03
33 D 111.05 112.5
34 S 149.80 146.35
36 Q 55.60 55.45
37 T 28.43 25.52
38 T 44.90 46.63
40 Q 42.77 42.27
41 D 64.20 65.5
42 T 38.20 40.4
43 T 22.67 23.3
44 T 44.76 43.1
46 Q 42.46 41.9





Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
acd_lotusv7
1 Q 56.00 55.8
3 S 150.00 148.7
4 D 111.59 111.1
5 D 121.50 123.7
6 S 127.97 137.8
7 D 132.40 117.0
8 S 147.00 146.7
10 S 155.60 152.9
11 D 116.70 121.38
12 D 124.10 129.68
13 S 132.34 130.28
14 D 124.10 129.68
15 D 116.70 121.38
16 T 39.30 37.88
17 D 58.50 60.59
18 S 129.11 122.6
19 D 124.10 127.61
20 D 110.48 105.83
21 S 153.49 151.11
23 Q 56.23 55.67
24 S 139.90 136.54
26 Q 61.18 60.22
27 S 145.36 147.27
29 S 147.00 143.35
30 D 111.90 119.65
31 S 129.88 126.81
32 S 126.03 130.73
33 D 112.50 111.05
34 S 146.35 149.8
36 Q 55.45 55.6
37 T 25.52 28.43
38 T 46.63 44.9
40 Q 42.27 42.77
41 D 65.50 64.2
42 T 40.40 38.2
43 T 23.30 22.67
44 T 43.10 44.76
46 Q 41.90 42.46






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