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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 56.5 57.6
3 S 159.5 161.9
4 D 111.0 113.1
5 S 141.7 144.3
6 Q 22.8 24.2
7 S 115.8 116.0
8 S 178.6 179.6
10 D 111.3 111.89
11 S 165.0 159.65
12 T 43.1 42.93
13 D 64.4 65.46
14 Q 23.3 23.5
17 S 157.4 159.7
18 S 110.6 113.3
19 D 70.6 72.8
21 D 81.8 82.9
22 T 61.5 63.9
24 D 70.4 72.8
26 D 75.7 78.6
28 D 72.6 73.9
30 S 167.7 167.3
32 D 114.8 115.13
33 D 146.5 147.17
34 S 127.6 127.63
35 D 122.9 121.95
36 D 116.3 116.28
37 S 149.3 149.0
39 S 146.8 145.74
41 D 115.0 114.95





Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
acd_lotusv7
1 Q 57.60 56.5
3 S 161.90 159.5
4 D 113.10 111.0
5 S 144.30 141.7
6 Q 24.20 22.8
7 S 116.00 115.8
8 S 179.60 178.6
10 D 111.89 111.3
11 S 159.65 165.0
12 T 42.93 43.1
13 D 65.46 64.4
14 Q 23.50 23.3
17 S 159.70 157.4
18 S 113.30 110.6
19 D 72.80 70.6
21 D 82.90 81.8
22 T 63.90 61.5
24 D 72.80 70.4
26 D 78.60 75.7
28 D 73.90 72.6
30 S 167.30 167.7
32 D 115.13 114.8
33 D 147.17 146.5
34 S 127.63 127.6
35 D 121.95 122.9
36 D 116.28 116.3
37 S 149.00 149.3
39 S 145.74 146.8
41 D 114.95 115.0






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