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This molecule without stereoconfiguration:

This molecule with other stereoconfigurations:


Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
hose_lotusv7
1 Q 56.90 61.8
3 D 82.90 85.36
4 D 80.10 82.85
6 D 106.10 104.9
8 D 77.50 77.04
9 T 63.10 61.1
11 D 72.10 71.7
13 D 77.57 78.4
15 D 76.50 74.18
17 D 71.00 70.4
18 Q 19.00 18.26
20 D 99.88 102.2
22 D 72.05 77.6
23 T 27.80 27.0
24 T 32.08 30.5
25 S 35.98 35.4
26 Q 23.48 23.8
27 D 35.75 35.7
28 T 23.55 21.02
29 T 39.95 41.2
30 S 50.20 50.9
31 Q 16.00 16.3
32 D 51.20 52.1
33 S 175.25 178.4
34 D 117.65 117.8
35 S 174.50 175.64
38 T 73.60 75.4
39 T 26.90 27.9
40 T 33.15 33.4
41 S 83.51 86.3
43 D 41.85 41.33
44 T 22.35 24.85
45 T 26.45 26.9
46 D 36.80 36.7
47 T 35.46 30.3
48 D 71.60 67.9





Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
acd_lotusv7
1 Q 61.80 56.9
3 D 85.36 82.9
4 D 82.85 80.1
6 D 104.90 106.1
8 D 77.04 77.5
9 T 61.10 63.1
11 D 71.70 72.1
13 D 78.40 77.57
15 D 74.18 76.5
17 D 70.40 71.0
18 Q 18.26 19.0
20 D 102.20 99.88
22 D 77.60 72.05
23 T 27.00 27.8
24 T 30.50 32.08
25 S 35.40 35.98
26 Q 23.80 23.48
27 D 35.70 35.75
28 T 21.02 23.55
29 T 41.20 39.95
30 S 50.90 50.2
31 Q 16.30 16.0
32 D 52.10 51.2
33 S 178.40 175.25
34 D 117.80 117.65
35 S 175.64 174.5
38 T 75.40 73.6
39 T 27.90 26.9
40 T 33.40 33.15
41 S 86.30 83.51
43 D 41.33 41.85
44 T 24.85 22.35
45 T 26.90 26.45
46 D 36.70 36.8
47 T 30.30 35.46
48 D 67.90 71.6






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