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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 18.82 18.52
2 D 70.14 69.54
4 D 102.04 101.9
6 D 78.94 78.67
7 D 105.00 100.9
9 D 74.60 77.97
10 T 65.20 64.08
12 D 106.61 107.46
14 D 89.10 88.7
15 T 26.70 26.8
16 T 37.31 39.17
17 S 36.78 37.12
18 Q 16.13 16.14
19 D 55.80 56.43
20 T 17.39 18.14
21 T 34.28 33.04
22 S 42.75 41.86
23 Q 18.60 15.92
24 D 51.42 50.32
25 T 21.35 21.5
26 T 33.20 32.7
27 S 90.83 91.74
29 T 75.19 73.49
30 S 45.50 49.03
31 T 31.02 31.3
32 T 33.80 35.15
33 S 49.20 49.3
34 Q 23.43 24.1
35 D 208.94 205.9
37 T 30.60 35.89
38 D 48.55 50.6
39 D 77.90 73.2
41 T 37.30 42.49
42 S 44.74 43.03
43 Q 18.92 16.2
44 S 39.90 39.8
45 Q 24.04 21.7
46 Q 22.37 21.7
47 D 74.52 74.1
49 D 73.70 72.73
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
hose_lotusv7
52 D 78.29 77.67
53 T 62.86 63.07
55 D 72.05 72.07
57 D 78.99 72.09
59 D 72.15 72.4
61 D 72.46 72.25
63 D 74.66 74.03





Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
acd_lotusv7
1 Q 18.52 18.82
2 D 69.54 70.14
4 D 101.90 102.04
6 D 78.67 78.94
7 D 100.90 105.0
9 D 77.97 74.6
10 T 64.08 65.2
12 D 107.46 106.61
14 D 88.70 89.1
15 T 26.80 26.7
16 T 39.17 37.31
17 S 37.12 36.78
18 Q 16.14 16.13
19 D 56.43 55.8
20 T 18.14 17.39
21 T 33.04 34.28
22 S 41.86 42.75
23 Q 15.92 18.6
24 D 50.32 51.42
25 T 21.50 21.35
26 T 32.70 33.2
27 S 91.74 90.83
29 T 73.49 75.19
30 S 49.03 45.5
31 T 31.30 31.02
32 T 35.15 33.8
33 S 49.30 49.2
34 Q 24.10 23.43
35 D 205.90 208.94
37 T 35.89 30.6
38 D 50.60 48.55
39 D 73.20 77.9
41 T 42.49 37.3
42 S 43.03 44.74
43 Q 16.20 18.92
44 S 39.80 39.9
45 Q 21.70 24.04
46 Q 21.70 22.37
47 D 74.10 74.52
49 D 72.73 73.7
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
acd_lotusv7
52 D 77.67 78.29
53 T 63.07 62.86
55 D 72.07 72.05
57 D 72.09 78.99
59 D 72.40 72.15
61 D 72.25 72.46
63 D 74.03 74.66






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