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Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
hose_lotusv7
1 Q 11.30 12.1
2 S 103.20 148.7
3 S 151.52 169.93
4 T 23.34 29.5
5 T 31.88 30.56
6 D 33.39 33.9
7 Q 17.34 17.6
8 T 74.97 75.0
10 D 104.71 105.1
12 D 78.37 78.14
13 T 62.80 62.32
15 D 71.75 71.66
17 D 78.59 78.2
19 D 75.24 75.2
22 D 82.50 79.75
23 T 33.50 32.57
24 D 51.99 50.57
25 D 36.65 44.03
26 T 32.17 29.88
27 T 26.39 28.44
28 D 36.43 42.47
29 T 32.73 33.71
30 D 74.44 74.2
32 D 103.26 103.2
34 D 76.15 77.15
35 T 61.95 61.1
37 D 80.64 71.04
39 D 104.26 105.67
41 D 77.34 77.82
42 T 61.65 62.19
44 D 69.62 69.91
46 D 90.99 88.2
48 D 102.60 103.35
50 T 66.50 64.91
51 D 70.52 69.02
53 D 76.46 75.2
55 D 79.72 79.92
57 D 105.23 105.28
59 D 77.02 78.77
60 T 62.31 61.1
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
hose_lotusv7
62 D 70.27 71.7
64 D 74.39 78.37
66 D 73.80 77.1
68 D 73.75 75.9
70 D 72.38 73.72
72 D 75.64 71.14
74 T 26.98 29.13
75 T 31.70 37.59
76 S 36.18 37.22
77 Q 23.47 15.54
78 D 43.10 43.41
79 T 37.40 43.37
80 S 214.89 213.54
82 S 55.81 50.95
83 Q 12.93 20.3
84 D 55.60 50.78





Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
acd_lotusv7
1 Q 12.10 11.3
2 S 148.70 103.2
3 S 169.93 151.52
4 T 29.50 23.34
5 T 30.56 31.88
6 D 33.90 33.39
7 Q 17.60 17.34
8 T 75.00 74.97
10 D 105.10 104.71
12 D 78.14 78.37
13 T 62.32 62.8
15 D 71.66 71.75
17 D 78.20 78.59
19 D 75.20 75.24
22 D 79.75 82.5
23 T 32.57 33.5
24 D 50.57 51.99
25 D 44.03 36.65
26 T 29.88 32.17
27 T 28.44 26.39
28 D 42.47 36.43
29 T 33.71 32.73
30 D 74.20 74.44
32 D 103.20 103.26
34 D 77.15 76.15
35 T 61.10 61.95
37 D 71.04 80.64
39 D 105.67 104.26
41 D 77.82 77.34
42 T 62.19 61.65
44 D 69.91 69.62
46 D 88.20 90.99
48 D 103.35 102.6
50 T 64.91 66.5
51 D 69.02 70.52
53 D 75.20 76.46
55 D 79.92 79.72
57 D 105.28 105.23
59 D 78.77 77.02
60 T 61.10 62.31
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
acd_lotusv7
62 D 71.70 70.27
64 D 78.37 74.39
66 D 77.10 73.8
68 D 75.90 73.75
70 D 73.72 72.38
72 D 71.14 75.64
74 T 29.13 26.98
75 T 37.59 31.7
76 S 37.22 36.18
77 Q 15.54 23.47
78 D 43.41 43.1
79 T 43.37 37.4
80 S 213.54 214.89
82 S 50.95 55.81
83 Q 20.30 12.93
84 D 50.78 55.6






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