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This molecule with some stereoconfiguration:


Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
hose_lotusv7
1 Q 21.60 21.3
2 S 172.00 170.5
5 T 61.80 65.5
6 S 54.88 55.0
7 D 69.28 68.9
9 S 161.80 165.99
11 S 118.70 119.9
12 D 109.90 109.8
13 D 144.20 143.6
15 D 148.70 147.6
16 T 34.77 34.7
17 D 49.10 49.1
18 D 77.61 78.1
20 S 169.60 169.6
21 Q 21.10 21.1
23 S 91.17 91.1
25 S 84.29 84.6
26 Q 28.15 27.55
27 Q 24.27 27.55
28 S 73.68 69.7
29 Q 27.26 25.1
31 T 42.13 41.6
32 D 69.37 67.4
34 S 161.59 165.99
36 S 116.22 119.9
37 D 109.91 109.8
38 D 143.84 143.6
40 D 148.67 147.6
41 D 76.27 75.1
43 S 161.47 165.99
45 S 118.89 119.9
46 D 109.67 109.8
47 D 144.31 143.6
49 D 148.74 147.6





Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
acd_lotusv7
1 Q 21.30 21.6
2 S 170.50 172.0
5 T 65.50 61.8
6 S 55.00 54.88
7 D 68.90 69.28
9 S 165.99 161.8
11 S 119.90 118.7
12 D 109.80 109.9
13 D 143.60 144.2
15 D 147.60 148.7
16 T 34.70 34.77
17 D 49.10 49.1
18 D 78.10 77.61
20 S 169.60 169.6
21 Q 21.10 21.1
23 S 91.10 91.17
25 S 84.60 84.29
26 Q 27.55 28.15
27 Q 27.55 24.27
28 S 69.70 73.68
29 Q 25.10 27.26
31 T 41.60 42.13
32 D 67.40 69.37
34 S 165.99 161.59
36 S 119.90 116.22
37 D 109.80 109.91
38 D 143.60 143.84
40 D 147.60 148.67
41 D 75.10 76.27
43 S 165.99 161.47
45 S 119.90 118.89
46 D 109.80 109.67
47 D 143.60 144.31
49 D 147.60 148.74






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