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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 10.30 13.6
2 S 117.10 114.05
3 S 146.10 151.11
5 S 178.40 177.34
7 D 119.80 128.23
8 S 164.70 148.81
9 S 127.80 128.7
10 D 133.50 129.76
11 D 118.10 129.76
12 S 168.60 171.5
13 S 44.70 42.21
14 Q 19.70 23.8
15 T 28.50 25.1
16 T 35.47 37.31
17 S 38.20 34.76
18 Q 28.17 22.98
19 T 52.50 49.3
20 S 213.50 208.64
22 D 41.90 42.2
23 Q 15.10 14.57
24 T 32.10 35.74
25 D 43.60 49.63
26 S 40.56 37.1
27 Q 21.60 18.88
28 T 30.00 29.65
29 T 33.80 35.15
30 S 42.70 40.51
31 Q 39.10 24.56





Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
acd_lotusv7
1 Q 13.60 10.3
2 S 114.05 117.1
3 S 151.11 146.1
5 S 177.34 178.4
7 D 128.23 119.8
8 S 148.81 164.7
9 S 128.70 127.8
10 D 129.76 133.5
11 D 129.76 118.1
12 S 171.50 168.6
13 S 42.21 44.7
14 Q 23.80 19.7
15 T 25.10 28.5
16 T 37.31 35.47
17 S 34.76 38.2
18 Q 22.98 28.17
19 T 49.30 52.5
20 S 208.64 213.5
22 D 42.20 41.9
23 Q 14.57 15.1
24 T 35.74 32.1
25 D 49.63 43.6
26 S 37.10 40.56
27 Q 18.88 21.6
28 T 29.65 30.0
29 T 35.15 33.8
30 S 40.51 42.7
31 Q 24.56 39.1






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