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Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
hose_lotusv7
1 Q 55.87 55.7
3 S 147.75 148.87
4 D 110.70 111.81
5 S 125.55 127.51
6 D 145.13 145.7
7 D 113.88 114.7
8 S 166.68 166.3
11 T 63.40 62.9
12 D 76.38 73.6
14 D 107.49 104.6
16 D 81.62 79.13
17 D 98.95 100.49
19 S 164.59 162.63
20 D 100.02 99.08
21 S 161.57 163.6
23 S 106.25 105.44
24 S 177.60 180.1
26 S 133.80 135.8
28 D 102.46 102.6
30 D 77.82 79.2
31 T 61.82 60.8
33 D 70.68 72.0
35 D 77.24 75.5
37 D 75.01 73.9
39 S 156.00 162.0
40 S 120.90 121.11
41 D 131.56 130.94
42 D 115.72 115.18
43 S 160.00 160.12
45 D 115.72 115.18
46 D 131.56 130.94
48 S 157.10 155.94
49 D 95.20 94.42
51 D 70.61 70.25
52 Q 18.25 18.16
53 D 74.15 71.7
55 D 72.49 69.4
57 D 75.63 74.1
59 D 76.41 75.9
61 D 70.90 70.2
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
hose_lotusv7
63 D 122.64 123.82
64 D 115.25 115.45
65 S 149.15 149.24





Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
acd_lotusv7
1 Q 55.70 55.87
3 S 148.87 147.75
4 D 111.81 110.7
5 S 127.51 125.55
6 D 145.70 145.13
7 D 114.70 113.88
8 S 166.30 166.68
11 T 62.90 63.4
12 D 73.60 76.38
14 D 104.60 107.49
16 D 79.13 81.62
17 D 100.49 98.95
19 S 162.63 164.59
20 D 99.08 100.02
21 S 163.60 161.57
23 S 105.44 106.25
24 S 180.10 177.6
26 S 135.80 133.8
28 D 102.60 102.46
30 D 79.20 77.82
31 T 60.80 61.82
33 D 72.00 70.68
35 D 75.50 77.24
37 D 73.90 75.01
39 S 162.00 156.0
40 S 121.11 120.9
41 D 130.94 131.56
42 D 115.18 115.72
43 S 160.12 160.0
45 D 115.18 115.72
46 D 130.94 131.56
48 S 155.94 157.1
49 D 94.42 95.2
51 D 70.25 70.61
52 Q 18.16 18.25
53 D 71.70 74.15
55 D 69.40 72.49
57 D 74.10 75.63
59 D 75.90 76.41
61 D 70.20 70.9
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
acd_lotusv7
63 D 123.82 122.64
64 D 115.45 115.25
65 S 149.24 149.15






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