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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 T 114.24 114.12
2 S 150.92 128.7
3 D 43.83 38.9
4 S 170.22 164.9
5 D 117.47 118.87
6 S 174.50 175.64
9 T 73.12 74.96
10 T 26.87 26.94
11 T 33.42 33.77
12 S 81.27 73.6
14 D 55.78 48.53
15 T 26.68 40.21
16 D 45.21 50.5
17 D 48.39 46.97
18 T 20.31 24.77
19 T 27.37 26.21
20 D 40.37 42.47
21 T 34.87 33.71
22 D 72.24 77.6
24 D 99.88 102.38
26 D 71.20 70.4
27 Q 19.00 18.26
28 D 80.10 82.85
30 D 106.10 104.9
32 D 77.50 78.18
33 T 63.10 62.69
35 D 72.10 72.44
37 D 77.57 78.06
39 D 76.50 75.64
41 D 82.90 85.36
43 Q 56.90 61.8
44 D 72.27 67.9
46 T 29.45 29.13
47 T 33.41 36.76
48 S 36.36 37.47
49 Q 24.31 16.59





Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
acd_lotusv7
1 T 114.12 114.24
2 S 128.70 150.92
3 D 38.90 43.83
4 S 164.90 170.22
5 D 118.87 117.47
6 S 175.64 174.5
9 T 74.96 73.12
10 T 26.94 26.87
11 T 33.77 33.42
12 S 73.60 81.27
14 D 48.53 55.78
15 T 40.21 26.68
16 D 50.50 45.21
17 D 46.97 48.39
18 T 24.77 20.31
19 T 26.21 27.37
20 D 42.47 40.37
21 T 33.71 34.87
22 D 77.60 72.24
24 D 102.38 99.88
26 D 70.40 71.2
27 Q 18.26 19.0
28 D 82.85 80.1
30 D 104.90 106.1
32 D 78.18 77.5
33 T 62.69 63.1
35 D 72.44 72.1
37 D 78.06 77.57
39 D 75.64 76.5
41 D 85.36 82.9
43 Q 61.80 56.9
44 D 67.90 72.27
46 T 29.13 29.45
47 T 36.76 33.41
48 S 37.47 36.36
49 Q 16.59 24.31






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