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This molecule without stereoconfiguration:


Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
hose_lotusv7
1 Q 55.71 55.95
3 S 147.14 147.21
4 D 111.73 109.33
5 S 126.34 126.57
6 S 129.81 129.45
7 D 109.47 110.27
8 S 148.97 147.3
10 Q 56.31 55.78
11 D 58.62 59.0
12 T 35.61 36.7
13 S 137.21 135.7
14 D 120.02 120.2
15 D 128.03 126.7
16 D 116.85 111.9
17 S 159.09 152.45
19 S 123.27 121.3
20 T 50.00 53.4
22 T 50.01 51.35
23 T 28.62 28.9




Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
acd_lotusv7
1 Q 55.95 55.71
3 S 147.21 147.14
4 D 109.33 111.73
5 S 126.57 126.34
6 S 129.45 129.81
7 D 110.27 109.47
8 S 147.30 148.97
10 Q 55.78 56.31
11 D 59.00 58.62
12 T 36.70 35.61
13 S 135.70 137.21
14 D 120.20 120.02
15 D 126.70 128.03
16 D 111.90 116.85
17 S 152.45 159.09
19 S 121.30 123.27
20 T 53.40 50.0
22 T 51.35 50.01
23 T 28.90 28.62





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