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Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
hose_lotusv7
1 Q 18.50 18.52
2 D 70.10 70.0
4 D 104.10 103.3
6 D 81.30 88.2
7 D 76.54 75.9
9 D 105.00 105.28
11 D 78.80 81.0
12 D 86.10 76.3
14 D 103.70 107.6
16 T 67.90 66.85
17 D 71.50 69.5
19 D 77.70 77.4
21 D 76.30 74.57
23 D 69.30 70.4
25 D 77.20 74.7
26 S 172.20 171.0
30 D 105.20 103.42
32 D 89.60 89.94
33 T 26.50 26.4
34 T 36.95 39.02
35 S 36.90 37.9
36 Q 14.35 15.68
37 D 55.80 55.81
38 T 18.12 19.2
39 T 36.40 32.89
40 S 40.00 40.7
41 Q 17.50 18.0
42 D 48.91 48.5
43 T 26.58 23.99
44 D 123.10 121.8
45 S 141.58 142.5
46 D 41.30 39.8
47 T 47.20 45.8
48 S 30.80 30.0
49 Q 29.92 28.35
50 Q 30.56 28.35
51 T 36.00 34.5
52 T 32.60 30.7
53 S 49.10 44.5
54 S 176.75 174.5
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
hose_lotusv7
57 D 95.63 95.48
59 D 78.38 78.19
60 T 62.22 62.47
62 D 71.12 71.65
64 D 78.76 80.3
66 D 74.37 70.15
68 D 71.04 72.0
70 T 39.81 34.4
71 S 42.00 42.5
72 Q 25.70 27.1
73 S 39.74 39.7
74 Q 24.04 21.7
75 Q 22.36 21.7
77 D 78.80 77.82
78 T 63.40 62.19
80 D 69.40 69.75
82 D 71.90 72.5
84 D 72.10 72.41
86 D 74.00 74.03





Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
acd_lotusv7
1 Q 18.52 18.5
2 D 70.00 70.1
4 D 103.30 104.1
6 D 88.20 81.3
7 D 75.90 76.54
9 D 105.28 105.0
11 D 81.00 78.8
12 D 76.30 86.1
14 D 107.60 103.7
16 T 66.85 67.9
17 D 69.50 71.5
19 D 77.40 77.7
21 D 74.57 76.3
23 D 70.40 69.3
25 D 74.70 77.2
26 S 171.00 172.2
30 D 103.42 105.2
32 D 89.94 89.6
33 T 26.40 26.5
34 T 39.02 36.95
35 S 37.90 36.9
36 Q 15.68 14.35
37 D 55.81 55.8
38 T 19.20 18.12
39 T 32.89 36.4
40 S 40.70 40.0
41 Q 18.00 17.5
42 D 48.50 48.91
43 T 23.99 26.58
44 D 121.80 123.1
45 S 142.50 141.58
46 D 39.80 41.3
47 T 45.80 47.2
48 S 30.00 30.8
49 Q 28.35 29.92
50 Q 28.35 30.56
51 T 34.50 36.0
52 T 30.70 32.6
53 S 44.50 49.1
54 S 174.50 176.75
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
acd_lotusv7
57 D 95.48 95.63
59 D 78.19 78.38
60 T 62.47 62.22
62 D 71.65 71.12
64 D 80.30 78.76
66 D 70.15 74.37
68 D 72.00 71.04
70 T 34.40 39.81
71 S 42.50 42.0
72 Q 27.10 25.7
73 S 39.70 39.74
74 Q 21.70 24.04
75 Q 21.70 22.36
77 D 77.82 78.8
78 T 62.19 63.4
80 D 69.75 69.4
82 D 72.50 71.9
84 D 72.41 72.1
86 D 74.03 74.0






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