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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 21.10 21.07
2 S 170.39 170.08
5 D 79.25 78.4
6 T 29.02 31.4
7 D 126.40 118.59
8 S 134.76 135.13
9 Q 12.03 11.75
10 D 77.98 81.0
12 S 170.89 170.08
13 Q 20.77 21.07
15 T 30.27 36.0
16 D 49.45 45.83
17 D 79.41 77.96
18 D 126.73 124.5
19 S 139.85 140.66
20 Q 12.88 11.94
22 S 176.91 177.88
24 D 41.16 37.8
25 Q 12.41 13.9





Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
acd_lotusv7
1 Q 21.07 21.1
2 S 170.08 170.39
5 D 78.40 79.25
6 T 31.40 29.02
7 D 118.59 126.4
8 S 135.13 134.76
9 Q 11.75 12.03
10 D 81.00 77.98
12 S 170.08 170.89
13 Q 21.07 20.77
15 T 36.00 30.27
16 D 45.83 49.45
17 D 77.96 79.41
18 D 124.50 126.73
19 S 140.66 139.85
20 Q 11.94 12.88
22 S 177.88 176.91
24 D 37.80 41.16
25 Q 13.90 12.41






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