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Details
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This molecule with other stereoconfigurations:
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Type: 13C
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|
Atom |
Mult.(coupling const.) |
Prediction Shift |
| Prediction 0 hose_lotusv7 |
1
|
Q |
20.90 |
| 20.87 |
2
|
S |
171.80 |
| 170.74 |
5
|
T |
64.75 |
| 60.8 |
6
|
S |
47.56 |
| 48.65 |
7
|
D |
41.02 |
| 40.6 |
8
|
T |
47.89 |
| 48.1 |
9
|
S |
35.56 |
| 40.1 |
10
|
Q |
23.12 |
| 24.5 |
11
|
Q |
24.36 |
| 24.5 |
12
|
D |
78.10 |
| 77.9 |
14
|
D |
77.01 |
| 79.95 |
16
|
S |
142.98 |
| 141.0 |
17
|
D |
125.20 |
| 126.6 |
18
|
T |
27.57 |
| 24.7 |
19
|
D |
49.57 |
| 48.5 |
20
|
S |
38.46 |
| 37.9 |
21
|
Q |
14.97 |
| 15.68 |
22
|
T |
39.80 |
| 39.02 |
23
|
T |
27.16 |
| 26.4 |
24
|
D |
91.35 |
| 89.94 |
26
|
D |
104.98 |
| 105.21 |
28
|
D |
74.68 |
| 71.17 |
29
|
T |
68.43 |
| 66.0 |
31
|
D |
105.22 |
| 104.33 |
33
|
T |
67.06 |
| 65.45 |
34
|
D |
70.23 |
| 68.7 |
36
|
D |
74.45 |
| 74.55 |
38
|
D |
72.55 |
| 72.0 |
40
|
D |
80.30 |
| 78.8 |
42
|
D |
104.41 |
| 105.28 |
44
|
D |
78.25 |
| 78.3 |
45
|
T |
62.23 |
| 61.1 |
47
|
D |
71.53 |
| 71.7 |
49
|
D |
77.95 |
| 78.4 |
51
|
D |
75.07 |
| 75.1 |
53
|
D |
76.21 |
| 78.0 |
55
|
D |
80.28 |
| 78.0 |
57
|
D |
104.59 |
| 106.39 |
59
|
D |
77.86 |
| 78.77 |
60
|
T |
62.95 |
| 61.1 |
|
|
Atom |
Mult.(coupling const.) |
Prediction Shift |
| Prediction 0 hose_lotusv7 |
62
|
D |
71.85 |
| 71.7 |
64
|
D |
77.67 |
| 78.37 |
66
|
D |
76.79 |
| 76.39 |
68
|
S |
40.40 |
| 39.7 |
69
|
Q |
24.04 |
| 21.7 |
70
|
Q |
22.36 |
| 21.7 |
71
|
D |
56.80 |
| 55.81 |
72
|
T |
20.02 |
| 19.2 |
73
|
T |
34.04 |
| 32.89 |
74
|
S |
40.89 |
| 40.7 |
75
|
Q |
17.19 |
| 18.0 |
76
|
S |
40.96 |
| 42.5 |
77
|
Q |
24.69 |
| 27.1 |
78
|
T |
34.72 |
| 35.14 |
79
|
D |
70.94 |
| 74.14 |
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|
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Type: 13C
|
|
Atom |
Mult.(coupling const.) |
Prediction Shift |
| Prediction 0 acd_lotusv7 |
1
|
Q |
20.87 |
| 20.9 |
2
|
S |
170.74 |
| 171.8 |
5
|
T |
60.80 |
| 64.75 |
6
|
S |
48.65 |
| 47.56 |
7
|
D |
40.60 |
| 41.02 |
8
|
T |
48.10 |
| 47.89 |
9
|
S |
40.10 |
| 35.56 |
10
|
Q |
24.50 |
| 23.12 |
11
|
Q |
24.50 |
| 24.36 |
12
|
D |
77.90 |
| 78.1 |
14
|
D |
79.95 |
| 77.01 |
16
|
S |
141.00 |
| 142.98 |
17
|
D |
126.60 |
| 125.2 |
18
|
T |
24.70 |
| 27.57 |
19
|
D |
48.50 |
| 49.57 |
20
|
S |
37.90 |
| 38.46 |
21
|
Q |
15.68 |
| 14.97 |
22
|
T |
39.02 |
| 39.8 |
23
|
T |
26.40 |
| 27.16 |
24
|
D |
89.94 |
| 91.35 |
26
|
D |
105.21 |
| 104.98 |
28
|
D |
71.17 |
| 74.68 |
29
|
T |
66.00 |
| 68.43 |
31
|
D |
104.33 |
| 105.22 |
33
|
T |
65.45 |
| 67.06 |
34
|
D |
68.70 |
| 70.23 |
36
|
D |
74.55 |
| 74.45 |
38
|
D |
72.00 |
| 72.55 |
40
|
D |
78.80 |
| 80.3 |
42
|
D |
105.28 |
| 104.41 |
44
|
D |
78.30 |
| 78.25 |
45
|
T |
61.10 |
| 62.23 |
47
|
D |
71.70 |
| 71.53 |
49
|
D |
78.40 |
| 77.95 |
51
|
D |
75.10 |
| 75.07 |
53
|
D |
78.00 |
| 76.21 |
55
|
D |
78.00 |
| 80.28 |
57
|
D |
106.39 |
| 104.59 |
59
|
D |
78.77 |
| 77.86 |
60
|
T |
61.10 |
| 62.95 |
|
|
Atom |
Mult.(coupling const.) |
Prediction Shift |
| Prediction 0 acd_lotusv7 |
62
|
D |
71.70 |
| 71.85 |
64
|
D |
78.37 |
| 77.67 |
66
|
D |
76.39 |
| 76.79 |
68
|
S |
39.70 |
| 40.4 |
69
|
Q |
21.70 |
| 24.04 |
70
|
Q |
21.70 |
| 22.36 |
71
|
D |
55.81 |
| 56.8 |
72
|
T |
19.20 |
| 20.02 |
73
|
T |
32.89 |
| 34.04 |
74
|
S |
40.70 |
| 40.89 |
75
|
Q |
18.00 |
| 17.19 |
76
|
S |
42.50 |
| 40.96 |
77
|
Q |
27.10 |
| 24.69 |
78
|
T |
35.14 |
| 34.72 |
79
|
D |
74.14 |
| 70.94 |
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