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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 T 111.50 111.97
2 D 147.20 145.4
3 S 72.60 73.77
4 Q 28.60 28.04
6 T 36.03 35.39
7 T 28.23 31.9
8 S 38.53 39.3
9 Q 18.62 25.8
10 D 39.51 38.5
11 Q 16.02 16.0
12 T 38.89 38.1
13 D 76.65 73.93
15 S 45.07 45.2
16 Q 21.14 14.79
17 S 141.42 150.76
18 Q 22.45 17.31
19 D 122.90 123.37
20 T 26.93 26.84
21 T 19.78 18.56
22 D 46.62 48.77





Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
acd_lotusv7
1 T 111.97 111.5
2 D 145.40 147.2
3 S 73.77 72.6
4 Q 28.04 28.6
6 T 35.39 36.03
7 T 31.90 28.23
8 S 39.30 38.53
9 Q 25.80 18.62
10 D 38.50 39.51
11 Q 16.00 16.02
12 T 38.10 38.89
13 D 73.93 76.65
15 S 45.20 45.07
16 Q 14.79 21.14
17 S 150.76 141.42
18 Q 17.31 22.45
19 D 123.37 122.9
20 T 26.84 26.93
21 T 18.56 19.78
22 D 48.77 46.62






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