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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 56.00 56.2
3 S 152.80 151.1
4 D 101.90 101.1
5 S 149.90 149.67
6 S 109.60 109.9
7 D 112.30 106.6
8 S 144.90 144.0
10 Q 56.80 56.3
11 S 67.80 66.93
13 S 197.20 192.93
15 S 103.80 107.27
16 S 164.50 163.07
18 D 97.70 100.8
19 S 163.30 159.5
20 S 100.80 107.55
21 S 161.80 154.9
23 D 76.80 76.5
24 T 64.40 61.7
26 D 71.70 75.26
28 Q 60.40 58.8
29 D 72.90 70.4
31 S 80.50 79.4
32 Q 24.75 23.85
33 Q 23.95 23.85





Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
acd_lotusv7
1 Q 56.20 56.0
3 S 151.10 152.8
4 D 101.10 101.9
5 S 149.67 149.9
6 S 109.90 109.6
7 D 106.60 112.3
8 S 144.00 144.9
10 Q 56.30 56.8
11 S 66.93 67.8
13 S 192.93 197.2
15 S 107.27 103.8
16 S 163.07 164.5
18 D 100.80 97.7
19 S 159.50 163.3
20 S 107.55 100.8
21 S 154.90 161.8
23 D 76.50 76.8
24 T 61.70 64.4
26 D 75.26 71.7
28 Q 58.80 60.4
29 D 70.40 72.9
31 S 79.40 80.5
32 Q 23.85 24.75
33 Q 23.85 23.95






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