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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 112.35 109.89
2 S 145.45 144.78
3 T 32.40 32.3
4 T 35.53 28.97
5 D 69.40 71.49
7 T 46.21 32.06
8 S 135.55 140.93
9 D 122.31 133.03
10 D 117.89 121.75
11 S 141.93 151.8
12 T 29.29 35.05
13 T 22.54 22.79
14 T 40.83 39.7
15 S 46.06 44.23
16 Q 12.15 11.94
17 D 56.87 49.53
18 T 23.84 24.7
19 T 28.00 26.26
20 D 56.82 49.5
21 D 36.49 36.42
22 Q 19.07 19.28
23 D 36.49 36.89
24 T 24.14 24.59
25 T 39.85 40.19
26 D 28.24 28.68
27 Q 22.99 22.46
28 Q 22.71 22.46





Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
acd_lotusv7
1 T 109.89 112.35
2 S 144.78 145.45
3 T 32.30 32.4
4 T 28.97 35.53
5 D 71.49 69.4
7 T 32.06 46.21
8 S 140.93 135.55
9 D 133.03 122.31
10 D 121.75 117.89
11 S 151.80 141.93
12 T 35.05 29.29
13 T 22.79 22.54
14 T 39.70 40.83
15 S 44.23 46.06
16 Q 11.94 12.15
17 D 49.53 56.87
18 T 24.70 23.84
19 T 26.26 28.0
20 D 49.50 56.82
21 D 36.42 36.49
22 Q 19.28 19.07
23 T 36.89 36.49
24 T 24.59 24.14
25 T 40.19 39.85
26 D 28.68 28.24
27 Q 22.46 22.99
28 Q 22.46 22.71






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