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Details
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Type: 13C
|
|
Atom |
Mult.(coupling const.) |
Prediction Shift |
| Prediction 0 hose_lotusv7 |
1
|
Q |
18.50 |
| 18.52 |
2
|
D |
70.10 |
| 70.0 |
4
|
D |
104.10 |
| 103.3 |
6
|
D |
81.30 |
| 88.2 |
7
|
D |
76.54 |
| 75.9 |
9
|
D |
105.00 |
| 105.28 |
11
|
D |
78.80 |
| 81.0 |
12
|
D |
86.10 |
| 76.3 |
14
|
D |
103.70 |
| 107.6 |
16
|
T |
67.90 |
| 66.85 |
17
|
D |
71.50 |
| 69.5 |
19
|
D |
77.70 |
| 77.4 |
21
|
D |
76.30 |
| 74.57 |
23
|
D |
69.30 |
| 70.4 |
25
|
D |
77.20 |
| 74.7 |
26
|
S |
172.20 |
| 171.0 |
30
|
D |
105.20 |
| 103.42 |
32
|
D |
89.60 |
| 89.94 |
33
|
T |
26.50 |
| 26.4 |
34
|
T |
36.95 |
| 39.02 |
35
|
S |
36.90 |
| 37.9 |
36
|
Q |
14.35 |
| 15.68 |
37
|
D |
55.80 |
| 55.81 |
38
|
T |
18.12 |
| 19.2 |
39
|
T |
36.40 |
| 32.89 |
40
|
S |
40.00 |
| 40.7 |
41
|
Q |
17.50 |
| 18.0 |
42
|
D |
48.91 |
| 48.5 |
43
|
T |
26.58 |
| 23.99 |
44
|
D |
123.10 |
| 121.8 |
45
|
S |
141.58 |
| 142.5 |
46
|
D |
41.30 |
| 39.8 |
47
|
T |
47.20 |
| 45.8 |
48
|
S |
30.80 |
| 30.0 |
49
|
Q |
29.92 |
| 28.35 |
50
|
Q |
30.56 |
| 28.35 |
51
|
T |
36.00 |
| 34.5 |
52
|
T |
32.60 |
| 30.7 |
53
|
S |
49.10 |
| 44.5 |
54
|
S |
176.75 |
| 174.5 |
|
|
Atom |
Mult.(coupling const.) |
Prediction Shift |
| Prediction 0 hose_lotusv7 |
57
|
D |
95.63 |
| 95.48 |
59
|
D |
78.38 |
| 78.19 |
60
|
T |
62.22 |
| 62.47 |
62
|
D |
71.12 |
| 71.65 |
64
|
D |
78.76 |
| 80.3 |
66
|
D |
74.37 |
| 70.15 |
68
|
D |
71.04 |
| 72.0 |
70
|
T |
39.81 |
| 34.4 |
71
|
S |
42.00 |
| 42.5 |
72
|
Q |
25.70 |
| 27.1 |
73
|
S |
39.74 |
| 39.7 |
74
|
Q |
24.04 |
| 21.7 |
75
|
Q |
22.36 |
| 21.7 |
77
|
D |
78.80 |
| 77.82 |
78
|
T |
63.40 |
| 62.19 |
80
|
D |
69.40 |
| 69.75 |
82
|
D |
71.90 |
| 72.5 |
84
|
D |
72.10 |
| 72.41 |
86
|
D |
74.00 |
| 74.03 |
|
|
|
|
Type: 13C
|
|
Atom |
Mult.(coupling const.) |
Prediction Shift |
| Prediction 0 acd_lotusv7 |
1
|
Q |
18.52 |
| 18.5 |
2
|
D |
70.00 |
| 70.1 |
4
|
D |
103.30 |
| 104.1 |
6
|
D |
88.20 |
| 81.3 |
7
|
D |
75.90 |
| 76.54 |
9
|
D |
105.28 |
| 105.0 |
11
|
D |
81.00 |
| 78.8 |
12
|
D |
76.30 |
| 86.1 |
14
|
D |
107.60 |
| 103.7 |
16
|
T |
66.85 |
| 67.9 |
17
|
D |
69.50 |
| 71.5 |
19
|
D |
77.40 |
| 77.7 |
21
|
D |
74.57 |
| 76.3 |
23
|
D |
70.40 |
| 69.3 |
25
|
D |
74.70 |
| 77.2 |
26
|
S |
171.00 |
| 172.2 |
30
|
D |
103.42 |
| 105.2 |
32
|
D |
89.94 |
| 89.6 |
33
|
T |
26.40 |
| 26.5 |
34
|
T |
39.02 |
| 36.95 |
35
|
S |
37.90 |
| 36.9 |
36
|
Q |
15.68 |
| 14.35 |
37
|
D |
55.81 |
| 55.8 |
38
|
T |
19.20 |
| 18.12 |
39
|
T |
32.89 |
| 36.4 |
40
|
S |
40.70 |
| 40.0 |
41
|
Q |
18.00 |
| 17.5 |
42
|
D |
48.50 |
| 48.91 |
43
|
T |
23.99 |
| 26.58 |
44
|
D |
121.80 |
| 123.1 |
45
|
S |
142.50 |
| 141.58 |
46
|
D |
39.80 |
| 41.3 |
47
|
T |
45.80 |
| 47.2 |
48
|
S |
30.00 |
| 30.8 |
49
|
Q |
28.35 |
| 29.92 |
50
|
Q |
28.35 |
| 30.56 |
51
|
T |
34.50 |
| 36.0 |
52
|
T |
30.70 |
| 32.6 |
53
|
S |
44.50 |
| 49.1 |
54
|
S |
174.50 |
| 176.75 |
|
|
Atom |
Mult.(coupling const.) |
Prediction Shift |
| Prediction 0 acd_lotusv7 |
57
|
D |
95.48 |
| 95.63 |
59
|
D |
78.19 |
| 78.38 |
60
|
T |
62.47 |
| 62.22 |
62
|
D |
71.65 |
| 71.12 |
64
|
D |
80.30 |
| 78.76 |
66
|
D |
70.15 |
| 74.37 |
68
|
D |
72.00 |
| 71.04 |
70
|
T |
34.40 |
| 39.81 |
71
|
S |
42.50 |
| 42.0 |
72
|
Q |
27.10 |
| 25.7 |
73
|
S |
39.70 |
| 39.74 |
74
|
Q |
21.70 |
| 24.04 |
75
|
Q |
21.70 |
| 22.36 |
77
|
D |
77.82 |
| 78.8 |
78
|
T |
62.19 |
| 63.4 |
80
|
D |
69.75 |
| 69.4 |
82
|
D |
72.50 |
| 71.9 |
84
|
D |
72.41 |
| 72.1 |
86
|
D |
74.03 |
| 74.0 |
|
|
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