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Details
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Type: 13C
|
|
Atom |
Mult.(coupling const.) |
Prediction Shift |
| Prediction 0 hose_lotusv7 |
1
|
Q |
56.60 |
| 55.7 |
3
|
S |
149.60 |
| 148.87 |
4
|
D |
111.80 |
| 111.81 |
5
|
S |
127.70 |
| 127.51 |
6
|
D |
147.30 |
| 145.7 |
7
|
D |
115.30 |
| 114.7 |
8
|
S |
169.20 |
| 166.3 |
11
|
T |
64.31 |
| 63.34 |
12
|
D |
75.83 |
| 76.56 |
14
|
D |
103.14 |
| 103.1 |
16
|
T |
72.17 |
| 72.2 |
17
|
T |
36.68 |
| 36.5 |
18
|
S |
131.85 |
| 131.6 |
19
|
D |
121.50 |
| 121.3 |
20
|
D |
116.50 |
| 115.4 |
21
|
S |
144.61 |
| 145.0 |
23
|
S |
146.05 |
| 143.7 |
25
|
D |
117.30 |
| 116.5 |
26
|
D |
69.93 |
| 81.0 |
28
|
D |
109.45 |
| 110.5 |
30
|
T |
75.17 |
| 75.38 |
31
|
S |
78.45 |
| 79.3 |
33
|
T |
67.40 |
| 67.7 |
35
|
S |
165.30 |
| 166.37 |
37
|
S |
119.20 |
| 125.91 |
38
|
D |
107.20 |
| 108.2 |
39
|
S |
147.50 |
| 148.35 |
41
|
Q |
56.10 |
| 56.24 |
42
|
S |
140.80 |
| 141.95 |
44
|
S |
147.50 |
| 148.35 |
46
|
Q |
56.10 |
| 56.24 |
47
|
D |
107.20 |
| 108.2 |
48
|
D |
77.72 |
| 78.76 |
50
|
D |
89.13 |
| 73.13 |
52
|
D |
103.88 |
| 103.5 |
54
|
D |
70.70 |
| 70.0 |
55
|
Q |
18.00 |
| 18.52 |
56
|
D |
73.50 |
| 73.8 |
58
|
D |
72.10 |
| 72.7 |
60
|
D |
72.20 |
| 72.3 |
|
|
Atom |
Mult.(coupling const.) |
Prediction Shift |
| Prediction 0 hose_lotusv7 |
62
|
D |
70.35 |
| 69.75 |
64
|
D |
124.50 |
| 123.82 |
65
|
D |
116.70 |
| 115.45 |
66
|
S |
151.05 |
| 149.24 |
|
|
Type: 13C
|
|
Atom |
Mult.(coupling const.) |
Prediction Shift |
| Prediction 0 acd_lotusv7 |
1
|
Q |
55.70 |
| 56.6 |
3
|
S |
148.87 |
| 149.6 |
4
|
D |
111.81 |
| 111.8 |
5
|
S |
127.51 |
| 127.7 |
6
|
D |
145.70 |
| 147.3 |
7
|
D |
114.70 |
| 115.3 |
8
|
S |
166.30 |
| 169.2 |
11
|
T |
63.34 |
| 64.31 |
12
|
D |
76.56 |
| 75.83 |
14
|
D |
103.10 |
| 103.14 |
16
|
T |
72.20 |
| 72.17 |
17
|
T |
36.50 |
| 36.68 |
18
|
S |
131.60 |
| 131.85 |
19
|
D |
121.30 |
| 121.5 |
20
|
D |
115.40 |
| 116.5 |
21
|
S |
145.00 |
| 144.61 |
23
|
S |
143.70 |
| 146.05 |
25
|
D |
116.50 |
| 117.3 |
26
|
D |
81.00 |
| 69.93 |
28
|
D |
110.50 |
| 109.45 |
30
|
T |
75.38 |
| 75.17 |
31
|
S |
79.30 |
| 78.45 |
33
|
T |
67.70 |
| 67.4 |
35
|
S |
166.37 |
| 165.3 |
37
|
S |
125.91 |
| 119.2 |
38
|
D |
108.20 |
| 107.2 |
39
|
S |
148.35 |
| 147.5 |
41
|
Q |
56.24 |
| 56.1 |
42
|
S |
141.95 |
| 140.8 |
44
|
S |
148.35 |
| 147.5 |
46
|
Q |
56.24 |
| 56.1 |
47
|
D |
108.20 |
| 107.2 |
48
|
D |
78.76 |
| 77.72 |
50
|
D |
73.13 |
| 89.13 |
52
|
D |
103.50 |
| 103.88 |
54
|
D |
70.00 |
| 70.7 |
55
|
Q |
18.52 |
| 18.0 |
56
|
D |
73.80 |
| 73.5 |
58
|
D |
72.70 |
| 72.1 |
60
|
D |
72.30 |
| 72.2 |
|
|
Atom |
Mult.(coupling const.) |
Prediction Shift |
| Prediction 0 acd_lotusv7 |
62
|
D |
69.75 |
| 70.35 |
64
|
D |
123.82 |
| 124.5 |
65
|
D |
115.45 |
| 116.7 |
66
|
S |
149.24 |
| 151.05 |
|
|
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