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Details
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Type: 13C
|
|
Atom |
Mult.(coupling const.) |
Prediction Shift |
| Prediction 0 hose_lotusv7 |
1
|
Q |
11.30 |
| 12.1 |
2
|
S |
103.20 |
| 148.7 |
3
|
S |
151.52 |
| 169.93 |
4
|
T |
23.34 |
| 29.5 |
5
|
T |
31.88 |
| 30.56 |
6
|
D |
33.39 |
| 33.9 |
7
|
Q |
17.34 |
| 17.6 |
8
|
T |
74.97 |
| 75.0 |
10
|
D |
104.71 |
| 105.1 |
12
|
D |
78.37 |
| 78.14 |
13
|
T |
62.80 |
| 62.32 |
15
|
D |
71.75 |
| 71.66 |
17
|
D |
78.59 |
| 78.2 |
19
|
D |
75.24 |
| 75.2 |
22
|
D |
82.50 |
| 79.75 |
23
|
T |
33.50 |
| 32.57 |
24
|
D |
51.99 |
| 50.57 |
25
|
D |
36.65 |
| 44.03 |
26
|
T |
32.17 |
| 29.88 |
27
|
T |
26.39 |
| 28.44 |
28
|
D |
36.43 |
| 42.47 |
29
|
T |
32.73 |
| 33.71 |
30
|
D |
74.44 |
| 74.2 |
32
|
D |
103.26 |
| 103.2 |
34
|
D |
76.15 |
| 77.15 |
35
|
T |
61.95 |
| 61.1 |
37
|
D |
80.64 |
| 71.04 |
39
|
D |
104.26 |
| 105.67 |
41
|
D |
77.34 |
| 77.82 |
42
|
T |
61.65 |
| 62.19 |
44
|
D |
69.62 |
| 69.91 |
46
|
D |
90.99 |
| 88.2 |
48
|
D |
102.60 |
| 103.35 |
50
|
T |
66.50 |
| 64.91 |
51
|
D |
70.52 |
| 69.02 |
53
|
D |
76.46 |
| 75.2 |
55
|
D |
79.72 |
| 79.92 |
57
|
D |
105.23 |
| 105.28 |
59
|
D |
77.02 |
| 78.77 |
60
|
T |
62.31 |
| 61.1 |
|
|
Atom |
Mult.(coupling const.) |
Prediction Shift |
| Prediction 0 hose_lotusv7 |
62
|
D |
70.27 |
| 71.7 |
64
|
D |
74.39 |
| 78.37 |
66
|
D |
73.80 |
| 77.1 |
68
|
D |
73.75 |
| 75.9 |
70
|
D |
72.38 |
| 73.72 |
72
|
D |
75.64 |
| 71.14 |
74
|
T |
26.98 |
| 29.13 |
75
|
T |
31.70 |
| 37.59 |
76
|
S |
36.18 |
| 37.22 |
77
|
Q |
23.47 |
| 15.54 |
78
|
D |
43.10 |
| 43.41 |
79
|
T |
37.40 |
| 43.37 |
80
|
S |
214.89 |
| 213.54 |
82
|
S |
55.81 |
| 50.95 |
83
|
Q |
12.93 |
| 20.3 |
84
|
D |
55.60 |
| 50.78 |
|
|
|
|
Type: 13C
|
|
Atom |
Mult.(coupling const.) |
Prediction Shift |
| Prediction 0 acd_lotusv7 |
1
|
Q |
12.10 |
| 11.3 |
2
|
S |
148.70 |
| 103.2 |
3
|
S |
169.93 |
| 151.52 |
4
|
T |
29.50 |
| 23.34 |
5
|
T |
30.56 |
| 31.88 |
6
|
D |
33.90 |
| 33.39 |
7
|
Q |
17.60 |
| 17.34 |
8
|
T |
75.00 |
| 74.97 |
10
|
D |
105.10 |
| 104.71 |
12
|
D |
78.14 |
| 78.37 |
13
|
T |
62.32 |
| 62.8 |
15
|
D |
71.66 |
| 71.75 |
17
|
D |
78.20 |
| 78.59 |
19
|
D |
75.20 |
| 75.24 |
22
|
D |
79.75 |
| 82.5 |
23
|
T |
32.57 |
| 33.5 |
24
|
D |
50.57 |
| 51.99 |
25
|
D |
44.03 |
| 36.65 |
26
|
T |
29.88 |
| 32.17 |
27
|
T |
28.44 |
| 26.39 |
28
|
D |
42.47 |
| 36.43 |
29
|
T |
33.71 |
| 32.73 |
30
|
D |
74.20 |
| 74.44 |
32
|
D |
103.20 |
| 103.26 |
34
|
D |
77.15 |
| 76.15 |
35
|
T |
61.10 |
| 61.95 |
37
|
D |
71.04 |
| 80.64 |
39
|
D |
105.67 |
| 104.26 |
41
|
D |
77.82 |
| 77.34 |
42
|
T |
62.19 |
| 61.65 |
44
|
D |
69.91 |
| 69.62 |
46
|
D |
88.20 |
| 90.99 |
48
|
D |
103.35 |
| 102.6 |
50
|
T |
64.91 |
| 66.5 |
51
|
D |
69.02 |
| 70.52 |
53
|
D |
75.20 |
| 76.46 |
55
|
D |
79.92 |
| 79.72 |
57
|
D |
105.28 |
| 105.23 |
59
|
D |
78.77 |
| 77.02 |
60
|
T |
61.10 |
| 62.31 |
|
|
Atom |
Mult.(coupling const.) |
Prediction Shift |
| Prediction 0 acd_lotusv7 |
62
|
D |
71.70 |
| 70.27 |
64
|
D |
78.37 |
| 74.39 |
66
|
D |
77.10 |
| 73.8 |
68
|
D |
75.90 |
| 73.75 |
70
|
D |
73.72 |
| 72.38 |
72
|
D |
71.14 |
| 75.64 |
74
|
T |
29.13 |
| 26.98 |
75
|
T |
37.59 |
| 31.7 |
76
|
S |
37.22 |
| 36.18 |
77
|
Q |
15.54 |
| 23.47 |
78
|
D |
43.41 |
| 43.1 |
79
|
T |
43.37 |
| 37.4 |
80
|
S |
213.54 |
| 214.89 |
82
|
S |
50.95 |
| 55.81 |
83
|
Q |
20.30 |
| 12.93 |
84
|
D |
50.78 |
| 55.6 |
|
|
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