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This molecule with other stereoconfigurations:


Spectral Data   Additional Data   Download  
1H Spectrum
20185616 Rating: 10
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Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
hose_lotusv7
2 S 93.00 97.76
3 D 97.50 103.3
5 D 70.50 72.23
6 D 66.90 76.65
7 T 40.34 41.0
8 S 40.94 39.81
9 D 49.57 51.05
10 S 63.50 70.41
12 D 56.90 56.05
13 T 30.15 37.24
14 S 140.00 147.38
15 D 122.00 129.85
16 D 82.90 73.03
17 T 35.20 35.41
18 D 68.40 70.82
20 D 73.55 74.55
21 S 213.00 213.9
22 S 67.30 48.43
23 S 82.40 85.6
24 T 43.60 37.62
25 D 136.00 129.74
26 S 137.50 155.52
28 Q 21.40 21.65
30 Q 57.90 60.2
31 Q 21.40 21.13
34 Q 17.60 21.79
36 S 160.20 141.74
37 D 114.50 116.2
38 S 174.50 174.09
40 T 72.10 72.17





Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
acd_lotusv7
2 S 97.76 93.0
3 D 103.30 97.5
5 D 72.23 70.5
6 D 76.65 66.9
7 T 41.00 40.34
8 S 39.81 40.94
9 D 51.05 49.57
10 S 70.41 63.5
12 D 56.05 56.9
13 T 37.24 30.15
14 S 147.38 140.0
15 D 129.85 122.0
16 D 73.03 82.9
17 T 35.41 35.2
18 D 70.82 68.4
20 D 74.55 73.55
21 S 213.90 213.0
22 S 48.43 67.3
23 S 85.60 82.4
24 T 37.62 43.6
25 D 129.74 136.0
26 S 155.52 137.5
28 Q 21.65 21.4
30 Q 60.20 57.9
31 Q 21.13 21.4
34 Q 21.79 17.6
36 S 141.74 160.2
37 D 116.20 114.5
38 S 174.09 174.5
40 T 72.17 72.1






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