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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 56.02 56.4
3 S 165.10 165.31
4 D 97.80 96.33
5 S 160.70 161.59
7 S 104.90 108.4
8 S 177.60 177.6
10 S 134.40 136.2
12 D 102.00 101.1
14 D 75.70 76.4
15 T 61.90 60.8
17 D 71.36 69.7
19 D 73.40 77.3
21 D 71.20 73.9
23 S 156.20 158.4
24 S 124.80 123.41
25 D 124.30 122.17
26 D 116.90 110.96
27 S 146.60 147.63
29 D 101.10 102.6
31 D 72.30 77.15
32 T 62.95 60.81
34 D 70.62 70.55
36 D 71.29 76.05
38 D 73.10 74.9
40 S 149.70 148.19
42 D 101.70 102.55
44 D 76.80 77.15
45 T 60.90 61.08
47 D 69.90 69.69
49 D 76.20 76.05
51 D 73.20 74.99
53 D 119.00 108.62
55 S 155.30 157.41
56 D 92.30 92.34





Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
acd_lotusv7
1 Q 56.40 56.02
3 S 165.31 165.1
4 D 96.33 97.8
5 S 161.59 160.7
7 S 108.40 104.9
8 S 177.60 177.6
10 S 136.20 134.4
12 D 101.10 102.0
14 D 76.40 75.7
15 T 60.80 61.9
17 D 69.70 71.36
19 D 77.30 73.4
21 D 73.90 71.2
23 S 158.40 156.2
24 S 123.41 124.8
25 D 122.17 124.3
26 D 110.96 116.9
27 S 147.63 146.6
29 D 102.60 101.1
31 D 77.15 72.3
32 T 60.81 62.95
34 D 70.55 70.62
36 D 76.05 71.29
38 D 74.90 73.1
40 S 148.19 149.7
42 D 102.55 101.7
44 D 77.15 76.8
45 T 61.08 60.9
47 D 69.69 69.9
49 D 76.05 76.2
51 D 74.99 73.2
53 D 108.62 119.0
55 S 157.41 155.3
56 D 92.34 92.3






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