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Details
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Type: 13C
|
|
Atom |
Mult.(coupling const.) |
Prediction Shift |
| Prediction 0 acd_lotusv7 | Prediction 1 hose_lotusv7 | Prediction 2 hose_lotusv7 |
1
|
Q |
56.11 |
| 56.11 | 56.26 | 56.26 |
3
|
S |
152.12 |
| 152.12 | 156.09 | 156.09 |
4
|
D |
109.05 |
| 109.05 | 110.96 | 110.96 |
5
|
D |
122.80 |
| 122.78 | 129.46 | 129.46 |
6
|
S |
122.31 |
| 122.38 | 123.95 | 123.95 |
7
|
S |
147.10 |
| 147.1 | 143.18 | 143.18 |
8
|
S |
142.42 |
| 142.42 | 139.9 | 139.9 |
10
|
Q |
60.82 |
| 60.82 | 61.18 | 61.18 |
12
|
S |
145.65 |
| 145.65 | 144.8 | 144.8 |
13
|
S |
146.58 |
| 146.58 | 148.9 | 148.9 |
15
|
Q |
55.05 |
| 56.64 | 55.0 | 55.0 |
16
|
D |
111.62 |
| 111.62 | 113.9 | 113.9 |
17
|
D |
120.39 |
| 120.17 | 121.64 | 121.64 |
18
|
S |
129.08 |
| 129.78 | 136.62 | 136.62 |
19
|
S |
129.55 |
| 129.55 | 132.5 | 125.15 |
20
|
D |
56.51 |
| 56.51 | 56.7 | 59.05 |
21
|
T |
34.96 |
| 35.01 | 36.5 | 36.5 |
23
|
Q |
41.38 |
| 41.38 | 42.41 | 42.64 |
24
|
T |
60.20 |
| 60.4 | 52.98 | 52.98 |
25
|
D |
63.61 |
| 63.4 | 67.3 | 67.3 |
|
|
Type: 13C
|
|
Atom |
Mult.(coupling const.) |
Prediction Shift |
| Prediction 0 acd_lotusv7 | Prediction 1 hose_lotusv7 | Prediction 2 hose_lotusv7 |
1
|
Q |
56.11 |
| 56.11 | 56.26 | 56.26 |
3
|
S |
152.12 |
| 152.12 | 156.09 | 156.09 |
4
|
D |
109.05 |
| 109.05 | 110.96 | 110.96 |
5
|
D |
122.78 |
| 122.8 | 129.46 | 129.46 |
6
|
S |
122.38 |
| 122.31 | 123.95 | 123.95 |
7
|
S |
147.10 |
| 147.1 | 143.18 | 143.18 |
8
|
S |
142.42 |
| 142.42 | 139.9 | 139.9 |
10
|
Q |
60.82 |
| 60.82 | 61.18 | 61.18 |
12
|
S |
145.65 |
| 145.65 | 144.8 | 144.8 |
13
|
S |
146.58 |
| 146.58 | 148.9 | 148.9 |
15
|
Q |
56.64 |
| 55.05 | 55.0 | 55.0 |
16
|
D |
111.62 |
| 111.62 | 113.9 | 113.9 |
17
|
D |
120.17 |
| 120.39 | 121.64 | 121.64 |
18
|
S |
129.78 |
| 129.08 | 136.62 | 136.62 |
19
|
S |
129.55 |
| 129.55 | 132.5 | 125.15 |
20
|
D |
56.51 |
| 56.51 | 56.7 | 59.05 |
21
|
T |
35.01 |
| 34.96 | 36.5 | 36.5 |
23
|
Q |
41.38 |
| 41.38 | 42.41 | 42.64 |
24
|
T |
60.40 |
| 60.2 | 52.98 | 52.98 |
25
|
D |
63.40 |
| 63.61 | 67.3 | 67.3 |
|
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