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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 58.80 57.75
3 D 77.70 78.27
4 T 36.70 37.31
5 D 99.80 101.3
7 D 83.00 85.22
8 D 67.40 68.58
10 T 38.59 38.96
11 D 96.19 98.52
13 D 78.00 77.8
14 T 29.00 30.18
15 T 38.80 37.79
16 S 37.30 39.81
17 Q 18.70 22.05
18 S 140.60 140.59
19 D 117.90 126.67
20 T 37.33 32.31
21 S 74.50 76.45
23 D 44.40 47.9
24 T 25.00 34.7
25 D 74.00 80.81
27 S 165.20 165.8
29 S 131.20 129.7
30 D 129.90 130.5
31 D 128.80 128.71
32 D 133.20 133.38
33 D 128.80 128.71
34 D 129.90 130.5
35 S 58.30 48.43
36 Q 10.48 21.79
37 S 90.77 87.34
39 S 210.90 211.6
40 Q 27.80 24.5
42 T 32.00 34.58
43 T 33.40 33.36
44 S 89.50 85.6
46 T 38.90 39.26
48 D 68.45 69.0
49 Q 18.48 18.2
51 D 69.10 69.73
52 Q 19.60 18.23
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
hose_lotusv7
53 D 83.30 83.65
55 D 102.50 102.4
56 T 37.60 36.2
57 D 80.10 78.27
59 Q 58.20 57.75
60 D 84.00 83.6
62 D 101.10 97.88
63 T 37.40 36.4
64 D 81.50 72.65
66 Q 57.90 56.7
67 D 76.80 71.64
69 D 73.10 73.57
70 Q 18.20 19.2
72 D 72.10 69.73
73 Q 18.40 18.23





Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
acd_lotusv7
1 Q 57.75 58.8
3 D 78.27 77.7
4 T 37.31 36.7
5 D 101.30 99.8
7 D 85.22 83.0
8 D 68.58 67.4
10 T 38.96 38.59
11 D 98.52 96.19
13 D 77.80 78.0
14 T 30.18 29.0
15 T 37.79 38.8
16 S 39.81 37.3
17 Q 22.05 18.7
18 S 140.59 140.6
19 D 126.67 117.9
20 T 32.31 37.33
21 S 76.45 74.5
23 D 47.90 44.4
24 T 34.70 25.0
25 D 80.81 74.0
27 S 165.80 165.2
29 S 129.70 131.2
30 D 130.50 129.9
31 D 128.71 128.8
32 D 133.38 133.2
33 D 128.71 128.8
34 D 130.50 129.9
35 S 48.43 58.3
36 Q 21.79 10.48
37 S 87.34 90.77
39 S 211.60 210.9
40 Q 24.50 27.8
42 T 34.58 32.0
43 T 33.36 33.4
44 S 85.60 89.5
46 T 39.26 38.9
48 D 69.00 68.45
49 Q 18.20 18.48
51 D 69.73 69.1
52 Q 18.23 19.6
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
acd_lotusv7
53 D 83.65 83.3
55 D 102.40 102.5
56 T 36.20 37.6
57 D 78.27 80.1
59 Q 57.75 58.2
60 D 83.60 84.0
62 D 97.88 101.1
63 T 36.40 37.4
64 D 72.65 81.5
66 Q 56.70 57.9
67 D 71.64 76.8
69 D 73.57 73.1
70 Q 19.20 18.2
72 D 69.73 72.1
73 Q 18.23 18.4






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