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Details
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Type: 13C
|
|
Atom |
Mult.(coupling const.) |
Prediction Shift |
| Prediction 0 hose_lotusv7 |
1
|
Q |
14.14 |
| 13.97 |
2
|
T |
22.77 |
| 22.15 |
3
|
T |
32.22 |
| 32.04 |
4
|
T |
29.30 |
| 28.72 |
5
|
T |
29.77 |
| 29.04 |
6
|
T |
29.77 |
| 29.07 |
7
|
T |
29.57 |
| 29.42 |
8
|
T |
29.35 |
| 29.5 |
9
|
T |
29.21 |
| 29.42 |
10
|
T |
29.40 |
| 29.62 |
11
|
T |
29.30 |
| 29.7 |
12
|
T |
29.23 |
| 29.78 |
13
|
T |
29.23 |
| 29.8 |
14
|
T |
25.21 |
| 28.0 |
15
|
T |
35.10 |
| 35.0 |
16
|
S |
173.89 |
| 173.7 |
19
|
D |
77.31 |
| 77.2 |
20
|
T |
30.81 |
| 34.6 |
21
|
D |
75.85 |
| 78.6 |
23
|
S |
44.66 |
| 42.4 |
24
|
Q |
12.82 |
| 9.3 |
25
|
D |
48.01 |
| 54.4 |
26
|
T |
18.16 |
| 18.1 |
27
|
T |
31.84 |
| 33.74 |
28
|
S |
42.89 |
| 44.02 |
29
|
Q |
17.91 |
| 18.88 |
30
|
D |
55.67 |
| 55.08 |
31
|
D |
68.29 |
| 69.64 |
33
|
D |
126.85 |
| 132.45 |
34
|
S |
144.00 |
| 147.66 |
35
|
D |
58.00 |
| 58.12 |
36
|
D |
37.98 |
| 39.28 |
37
|
Q |
17.60 |
| 17.07 |
38
|
D |
39.30 |
| 39.3 |
39
|
Q |
21.30 |
| 21.41 |
40
|
T |
31.00 |
| 31.51 |
41
|
T |
38.50 |
| 41.42 |
42
|
S |
33.60 |
| 33.4 |
43
|
Q |
29.18 |
| 28.89 |
44
|
T |
26.80 |
| 27.16 |
|
|
Atom |
Mult.(coupling const.) |
Prediction Shift |
| Prediction 0 hose_lotusv7 |
45
|
T |
31.93 |
| 26.94 |
46
|
S |
40.89 |
| 42.13 |
47
|
Q |
22.62 |
| 24.21 |
48
|
S |
38.83 |
| 38.2 |
49
|
Q |
23.87 |
| 22.25 |
50
|
Q |
22.20 |
| 22.25 |
|
|
Type: 13C
|
|
Atom |
Mult.(coupling const.) |
Prediction Shift |
| Prediction 0 acd_lotusv7 |
1
|
Q |
13.97 |
| 14.14 |
2
|
T |
22.15 |
| 22.77 |
3
|
T |
32.04 |
| 32.22 |
4
|
T |
28.72 |
| 29.3 |
5
|
T |
29.04 |
| 29.77 |
6
|
T |
29.07 |
| 29.77 |
7
|
T |
29.42 |
| 29.57 |
8
|
T |
29.50 |
| 29.35 |
9
|
T |
29.42 |
| 29.21 |
10
|
T |
29.62 |
| 29.4 |
11
|
T |
29.70 |
| 29.3 |
12
|
T |
29.78 |
| 29.23 |
13
|
T |
29.80 |
| 29.23 |
14
|
T |
28.00 |
| 25.21 |
15
|
T |
35.00 |
| 35.1 |
16
|
S |
173.70 |
| 173.89 |
19
|
D |
77.20 |
| 77.31 |
20
|
T |
34.60 |
| 30.81 |
21
|
D |
78.60 |
| 75.85 |
23
|
S |
42.40 |
| 44.66 |
24
|
Q |
9.30 |
| 12.82 |
25
|
D |
54.40 |
| 48.01 |
26
|
T |
18.10 |
| 18.16 |
27
|
T |
33.74 |
| 31.84 |
28
|
S |
44.02 |
| 42.89 |
29
|
Q |
18.88 |
| 17.91 |
30
|
D |
55.08 |
| 55.67 |
31
|
D |
69.64 |
| 68.29 |
33
|
D |
132.45 |
| 126.85 |
34
|
S |
147.66 |
| 144.0 |
35
|
D |
58.12 |
| 58.0 |
36
|
D |
39.28 |
| 37.98 |
37
|
Q |
17.07 |
| 17.6 |
38
|
D |
39.30 |
| 39.3 |
39
|
Q |
21.41 |
| 21.3 |
40
|
T |
31.51 |
| 31.0 |
41
|
T |
41.42 |
| 38.5 |
42
|
S |
33.40 |
| 33.6 |
43
|
Q |
28.89 |
| 29.18 |
44
|
T |
27.16 |
| 26.8 |
|
|
Atom |
Mult.(coupling const.) |
Prediction Shift |
| Prediction 0 acd_lotusv7 |
45
|
T |
26.94 |
| 31.93 |
46
|
S |
42.13 |
| 40.89 |
47
|
Q |
24.21 |
| 22.62 |
48
|
S |
38.20 |
| 38.83 |
49
|
Q |
22.25 |
| 23.87 |
50
|
Q |
22.25 |
| 22.2 |
|
|
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