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Details
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Type: 13C 100.0 Double click to get resizeable window!
|
|
Atom |
Mult.(coupling const.) |
Meas. Shift |
| Prediction 0 acd_lotusv7 | Prediction 1 hose_lotusv7 |
1
|
T |
31.8 |
| 34.37 | 29.76 |
2
|
T |
18.6 |
| 18.6 | 17.6 |
3
|
T |
41.6 |
| 41.65 | 30.03 |
4
|
S |
33.3 |
| 33.3 | 30.27 |
5
|
D |
46.3 |
| 46.35 | 49.58 |
6
|
S |
43.2 |
| 43.2 | 42.1 |
7
|
T |
21.5 |
| 20.83 | 42.24 |
8
|
T |
31.2 |
| 31.25 | 30.4 |
9
|
D |
36.6 |
| 36.65 | 40.99 |
10
|
S |
76.8 |
| 78.16 | 83.48 |
11
|
T |
32.2 |
| 32.25 | 38.34 |
12
|
T |
22.2 |
| 22.25 | 26.81 |
13
|
S |
135.1 |
| 135.2 | 134.7 |
14
|
S |
174.5 |
| 174.5 | 174.3 |
16
|
T |
70.1 |
| 70.1 | 70.2 |
17
|
D |
143.7 |
| 143.7 | 143.9 |
20
|
Q |
16.2 |
| 16.8 | 16.26 |
21
|
Q |
16.3 |
| 16.02 | 16.3 |
22
|
Q |
22.0 |
| 31.57 | 28.11 |
23
|
Q |
33.7 |
| 27.95 | 28.11 |
|
Double click upper part to get resizeable window!
|
Type: 13C Double click to get resizeable window!
|
|
Atom |
Mult.(coupling const.) |
Prediction Shift |
| expt-0 ocmainz inhouse-2 | Prediction 1 hose_lotusv7 |
1
|
T |
34.37 |
| 31.8 | 29.76 |
2
|
T |
18.60 |
| 18.6 | 17.6 |
3
|
T |
41.65 |
| 41.6 | 30.03 |
4
|
S |
33.30 |
| 33.3 | 30.27 |
5
|
D |
46.35 |
| 46.3 | 49.58 |
6
|
S |
43.20 |
| 43.2 | 42.1 |
7
|
T |
20.83 |
| 21.5 | 42.24 |
8
|
T |
31.25 |
| 31.2 | 30.4 |
9
|
D |
36.65 |
| 36.6 | 40.99 |
10
|
S |
78.16 |
| 76.8 | 83.48 |
11
|
T |
32.25 |
| 32.2 | 38.34 |
12
|
T |
22.25 |
| 22.2 | 26.81 |
13
|
S |
135.20 |
| 135.1 | 134.7 |
14
|
S |
174.50 |
| 174.5 | 174.3 |
16
|
T |
70.10 |
| 70.1 | 70.2 |
17
|
D |
143.70 |
| 143.7 | 143.9 |
20
|
Q |
16.80 |
| 16.2 | 16.26 |
21
|
Q |
16.02 |
| 16.3 | 16.3 |
22
|
Q |
31.57 |
| 22.0 | 28.11 |
23
|
Q |
27.95 |
| 33.7 | 28.11 |
|
Double click upper part to get resizeable window!
|
Type: 13C Double click to get resizeable window!
|
|
Atom |
Mult.(coupling const.) |
Prediction Shift |
| expt-0 ocmainz inhouse-2 | Prediction 1 acd_lotusv7 |
1
|
T |
29.76 |
| 31.8 | 34.37 |
2
|
T |
17.60 |
| 18.6 | 18.6 |
3
|
T |
30.03 |
| 41.6 | 41.65 |
4
|
S |
30.27 |
| 33.3 | 33.3 |
5
|
D |
49.58 |
| 46.3 | 46.35 |
6
|
S |
42.10 |
| 43.2 | 43.2 |
7
|
T |
42.24 |
| 21.5 | 20.83 |
8
|
T |
30.40 |
| 31.2 | 31.25 |
9
|
D |
40.99 |
| 36.6 | 36.65 |
10
|
S |
83.48 |
| 76.8 | 78.16 |
11
|
T |
38.34 |
| 32.2 | 32.25 |
12
|
T |
26.81 |
| 22.2 | 22.25 |
13
|
S |
134.70 |
| 135.1 | 135.2 |
14
|
S |
174.30 |
| 174.5 | 174.5 |
16
|
T |
70.20 |
| 70.1 | 70.1 |
17
|
D |
143.90 |
| 143.7 | 143.7 |
20
|
Q |
16.26 |
| 16.2 | 16.8 |
21
|
Q |
16.30 |
| 16.3 | 16.02 |
22
|
Q |
28.11 |
| 22.0 | 31.57 |
23
|
Q |
28.11 |
| 33.7 | 27.95 |
|
Double click upper part to get resizeable window!
|
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