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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 T 124.79 124.45
2 S 136.99 133.6
3 S 169.70 169.48
6 D 74.89 74.2
7 D 121.67 126.34
8 S 145.37 141.5
9 Q 17.58 12.0
10 D 74.85 76.1
12 T 33.18 33.1
13 D 60.60 58.7
15 S 58.12 58.31
16 Q 19.72 18.96
17 T 43.77 43.6
18 D 73.62 73.0
20 S 166.46 167.2
22 S 126.92 126.4
23 Q 20.36 20.76
24 D 140.40 140.44
25 Q 15.70 15.98
26 D 48.76 51.1





Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
acd_lotusv7
1 T 124.45 124.79
2 S 133.60 136.99
3 S 169.48 169.7
6 D 74.20 74.89
7 D 126.34 121.67
8 S 141.50 145.37
9 Q 12.00 17.58
10 D 76.10 74.85
12 T 33.10 33.18
13 D 58.70 60.6
15 S 58.31 58.12
16 Q 18.96 19.72
17 T 43.60 43.77
18 D 73.00 73.62
20 S 167.20 166.46
22 S 126.40 126.92
23 Q 20.76 20.36
24 D 140.44 140.4
25 Q 15.98 15.7
26 D 51.10 48.76






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