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Details
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Type: 13C
|
|
Atom |
Mult.(coupling const.) |
Prediction Shift |
| Prediction 0 hose_lotusv7 |
1
|
Q |
59.10 |
| 59.3 |
3
|
D |
83.00 |
| 83.2 |
4
|
S |
213.20 |
| 213.6 |
6
|
D |
81.00 |
| 81.2 |
8
|
D |
69.30 |
| 69.5 |
9
|
Q |
20.70 |
| 20.9 |
11
|
D |
42.60 |
| 42.3 |
12
|
T |
28.20 |
| 28.6 |
13
|
S |
137.20 |
| 137.5 |
14
|
D |
117.40 |
| 117.5 |
15
|
S |
139.40 |
| 139.9 |
16
|
D |
102.20 |
| 102.35 |
17
|
S |
160.50 |
| 156.07 |
19
|
D |
97.90 |
| 99.1 |
20
|
T |
37.60 |
| 38.1 |
21
|
D |
80.00 |
| 80.5 |
23
|
D |
99.40 |
| 99.55 |
24
|
T |
41.20 |
| 41.4 |
25
|
D |
71.75 |
| 72.3 |
27
|
D |
77.87 |
| 78.6 |
29
|
D |
73.15 |
| 73.85 |
30
|
Q |
18.07 |
| 19.0 |
32
|
D |
75.90 |
| 76.0 |
34
|
D |
73.80 |
| 73.7 |
35
|
Q |
19.00 |
| 19.3 |
37
|
S |
111.20 |
| 114.2 |
38
|
Q |
8.90 |
| 8.64 |
39
|
S |
157.00 |
| 151.16 |
41
|
S |
109.30 |
| 109.3 |
42
|
S |
166.00 |
| 166.4 |
44
|
S |
108.20 |
| 109.2 |
45
|
S |
204.20 |
| 204.4 |
47
|
D |
77.90 |
| 78.3 |
49
|
D |
101.60 |
| 101.8 |
50
|
T |
38.50 |
| 38.4 |
51
|
D |
81.10 |
| 81.5 |
53
|
D |
98.90 |
| 98.52 |
54
|
T |
45.20 |
| 45.2 |
55
|
S |
71.20 |
| 69.2 |
56
|
Q |
27.90 |
| 26.82 |
|
|
Atom |
Mult.(coupling const.) |
Prediction Shift |
| Prediction 0 hose_lotusv7 |
58
|
D |
77.40 |
| 74.29 |
60
|
D |
72.10 |
| 73.37 |
61
|
Q |
19.00 |
| 17.69 |
63
|
D |
76.30 |
| 76.2 |
65
|
D |
73.60 |
| 73.5 |
66
|
Q |
18.70 |
| 19.15 |
|
|
Type: 13C
|
|
Atom |
Mult.(coupling const.) |
Prediction Shift |
| Prediction 0 acd_lotusv7 |
1
|
Q |
59.30 |
| 59.1 |
3
|
D |
83.20 |
| 83.0 |
4
|
S |
213.60 |
| 213.2 |
6
|
D |
81.20 |
| 81.0 |
8
|
D |
69.50 |
| 69.3 |
9
|
Q |
20.90 |
| 20.7 |
11
|
D |
42.30 |
| 42.6 |
12
|
T |
28.60 |
| 28.2 |
13
|
S |
137.50 |
| 137.2 |
14
|
D |
117.50 |
| 117.4 |
15
|
S |
139.90 |
| 139.4 |
16
|
D |
102.35 |
| 102.2 |
17
|
S |
156.07 |
| 160.5 |
19
|
D |
99.10 |
| 97.9 |
20
|
T |
38.10 |
| 37.6 |
21
|
D |
80.50 |
| 80.0 |
23
|
D |
99.55 |
| 99.4 |
24
|
T |
41.40 |
| 41.2 |
25
|
D |
72.30 |
| 71.75 |
27
|
D |
78.60 |
| 77.87 |
29
|
D |
73.85 |
| 73.15 |
30
|
Q |
19.00 |
| 18.07 |
32
|
D |
76.00 |
| 75.9 |
34
|
D |
73.70 |
| 73.8 |
35
|
Q |
19.30 |
| 19.0 |
37
|
S |
114.20 |
| 111.2 |
38
|
Q |
8.64 |
| 8.9 |
39
|
S |
151.16 |
| 157.0 |
41
|
S |
109.30 |
| 109.3 |
42
|
S |
166.40 |
| 166.0 |
44
|
S |
109.20 |
| 108.2 |
45
|
S |
204.40 |
| 204.2 |
47
|
D |
78.30 |
| 77.9 |
49
|
D |
101.80 |
| 101.6 |
50
|
T |
38.40 |
| 38.5 |
51
|
D |
81.50 |
| 81.1 |
53
|
D |
98.52 |
| 98.9 |
54
|
T |
45.20 |
| 45.2 |
55
|
S |
69.20 |
| 71.2 |
56
|
Q |
26.82 |
| 27.9 |
|
|
Atom |
Mult.(coupling const.) |
Prediction Shift |
| Prediction 0 acd_lotusv7 |
58
|
D |
74.29 |
| 77.4 |
60
|
D |
73.37 |
| 72.1 |
61
|
Q |
17.69 |
| 19.0 |
63
|
D |
76.20 |
| 76.3 |
65
|
D |
73.50 |
| 73.6 |
66
|
Q |
19.15 |
| 18.7 |
|
|
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