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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 58.72 58.1
3 T 65.84 69.61
4 D 63.89 64.15
5 D 69.10 75.28
7 D 73.70 73.1
9 S 176.00 174.0
12 D 41.20 51.55
13 Q 20.50 21.55
14 T 40.00 20.5
15 D 29.80 36.74
16 Q 18.80 17.06
17 S 170.10 162.15
19 S 137.80 139.7
20 D 116.40 119.4
21 D 132.60 132.6
22 T 35.90 37.2
23 D 67.10 72.9
25 S 108.70 110.0
26 T 29.86 33.2
27 D 71.40 69.5
29 D 37.70 39.4
30 Q 11.38 4.5
32 D 84.80 85.7
33 D 77.37 80.4
34 T 38.30 36.0
35 D 74.90 72.15
37 D 42.10 44.15
38 Q 12.70 12.05
39 D 80.80 79.6
41 D 35.55 36.8
42 Q 18.25 18.9
43 D 131.68 127.55
44 S 133.82 137.0
45 Q 15.15 14.35
46 S 150.40 141.47
47 Q 23.70 20.32
48 D 125.20 133.03
49 D 135.80 125.13
50 D 126.75 140.3
51 S 156.25 138.55
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
hose_lotusv7
52 Q 19.15 21.85
53 D 95.15 96.11
54 S 117.40 116.43
57 Q 60.90 60.9
58 D 81.90 84.2
64 S 50.10 51.2
65 Q 22.40 20.7
66 Q 17.50 20.7
67 D 133.60 136.05
70 Q 44.30 42.37
71 Q 37.43 42.37





Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
acd_lotusv7
1 Q 58.10 58.72
3 T 69.61 65.84
4 D 64.15 63.89
5 D 75.28 69.1
7 D 73.10 73.7
9 S 174.00 176.0
12 D 51.55 41.2
13 Q 21.55 20.5
14 T 20.50 40.0
15 D 36.74 29.8
16 Q 17.06 18.8
17 S 162.15 170.1
19 S 139.70 137.8
20 D 119.40 116.4
21 D 132.60 132.6
22 T 37.20 35.9
23 D 72.90 67.1
25 S 110.00 108.7
26 T 33.20 29.86
27 D 69.50 71.4
29 D 39.40 37.7
30 Q 4.50 11.38
32 D 85.70 84.8
33 D 80.40 77.37
34 T 36.00 38.3
35 D 72.15 74.9
37 D 44.15 42.1
38 Q 12.05 12.7
39 D 79.60 80.8
41 D 36.80 35.55
42 Q 18.90 18.25
43 D 127.55 131.68
44 S 137.00 133.82
45 Q 14.35 15.15
46 S 141.47 150.4
47 Q 20.32 23.7
48 D 133.03 125.2
49 D 125.13 135.8
50 D 140.30 126.75
51 S 138.55 156.25
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
acd_lotusv7
52 Q 21.85 19.15
53 D 96.11 95.15
54 S 116.43 117.4
57 Q 60.90 60.9
58 D 84.20 81.9
64 S 51.20 50.1
65 Q 20.70 22.4
66 Q 20.70 17.5
67 D 136.05 133.6
70 Q 42.37 44.3
71 Q 42.37 37.43






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