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Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
hose_lotusv7
1 Q 14.91 14.75
2 D 44.65 41.8
3 D 60.12 63.07
4 D 80.93 81.33
5 T 31.71 32.7
6 D 54.90 56.32
7 D 36.00 34.74
8 T 38.96 41.0
9 D 77.76 79.9
11 D 102.51 103.42
13 D 78.60 77.41
14 T 61.92 62.57
16 D 71.23 72.07
18 D 78.44 78.08
20 D 80.09 78.67
22 D 107.35 106.6
24 T 67.43 66.4
25 D 70.78 69.5
27 D 77.85 75.9
29 D 75.81 74.4
31 D 51.33 51.74
32 T 33.47 33.3
33 D 70.59 71.58
35 T 32.04 31.14
36 T 37.02 38.4
37 S 37.09 37.99
38 Q 23.00 12.84
39 D 51.27 49.21
40 T 22.09 20.87
41 T 36.18 40.08
42 S 40.18 41.8
43 Q 16.69 17.0
45 S 109.38 109.25
46 T 30.02 31.65
47 T 27.79 29.05
48 D 30.38 30.45
49 Q 17.26 17.2
50 T 66.16 66.9





Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
acd_lotusv7
1 Q 14.75 14.91
2 D 41.80 44.65
3 D 63.07 60.12
4 D 81.33 80.93
5 T 32.70 31.71
6 D 56.32 54.9
7 D 34.74 36.0
8 T 41.00 38.96
9 D 79.90 77.76
11 D 103.42 102.51
13 D 77.41 78.6
14 T 62.57 61.92
16 D 72.07 71.23
18 D 78.08 78.44
20 D 78.67 80.09
22 D 106.60 107.35
24 T 66.40 67.43
25 D 69.50 70.78
27 D 75.90 77.85
29 D 74.40 75.81
31 D 51.74 51.33
32 T 33.30 33.47
33 D 71.58 70.59
35 T 31.14 32.04
36 T 38.40 37.02
37 S 37.99 37.09
38 Q 12.84 23.0
39 D 49.21 51.27
40 T 20.87 22.09
41 T 40.08 36.18
42 D 41.80 40.18
43 Q 17.00 16.69
45 S 109.25 109.38
46 T 31.65 30.02
47 T 29.05 27.79
48 D 30.45 30.38
49 Q 17.20 17.26
50 T 66.90 66.16






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