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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 |
14.29 |
| 14.46 |
2
|
D |
142.39 |
| 139.33 |
3
|
S |
128.37 |
| 127.55 |
4
|
Q |
12.08 |
| 11.98 |
5
|
S |
167.77 |
| 167.28 |
8
|
D |
72.50 |
| 74.62 |
9
|
D |
66.74 |
| 68.9 |
10
|
Q |
18.26 |
| 18.17 |
12
|
D |
104.39 |
| 104.43 |
14
|
D |
83.54 |
| 83.9 |
15
|
D |
78.01 |
| 80.05 |
17
|
Q |
58.55 |
| 57.75 |
18
|
T |
36.40 |
| 37.5 |
19
|
D |
100.48 |
| 102.4 |
21
|
D |
83.80 |
| 83.65 |
22
|
D |
78.34 |
| 74.52 |
24
|
Q |
58.38 |
| 58.9 |
25
|
T |
36.60 |
| 37.2 |
26
|
D |
96.95 |
| 98.52 |
28
|
D |
78.97 |
| 77.8 |
29
|
T |
29.69 |
| 30.18 |
30
|
T |
37.35 |
| 37.4 |
31
|
S |
39.11 |
| 31.33 |
32
|
Q |
20.10 |
| 18.57 |
33
|
S |
140.33 |
| 140.54 |
34
|
D |
123.39 |
| 122.3 |
35
|
T |
28.40 |
| 27.64 |
36
|
D |
38.17 |
| 49.9 |
37
|
D |
47.83 |
| 41.48 |
38
|
T |
21.97 |
| 20.02 |
39
|
T |
38.34 |
| 35.82 |
40
|
S |
48.80 |
| 44.01 |
41
|
Q |
15.55 |
| 18.16 |
42
|
D |
54.94 |
| 51.06 |
43
|
D |
79.15 |
| 77.38 |
44
|
Q |
21.55 |
| 18.71 |
46
|
D |
104.65 |
| 104.3 |
48
|
D |
75.09 |
| 77.71 |
49
|
T |
62.22 |
| 61.1 |
51
|
D |
69.75 |
| 71.7 |
|
|
Atom |
Mult.(coupling const.) |
Prediction Shift |
| Prediction 0 hose_lotusv7 |
53
|
D |
73.79 |
| 76.32 |
55
|
D |
75.85 |
| 74.02 |
57
|
T |
20.35 |
| 27.1 |
58
|
T |
33.97 |
| 34.24 |
59
|
S |
84.76 |
| 85.35 |
61
|
T |
39.88 |
| 39.26 |
63
|
D |
69.82 |
| 69.73 |
64
|
Q |
18.36 |
| 18.23 |
66
|
D |
69.29 |
| 72.3 |
67
|
Q |
18.41 |
| 18.41 |
68
|
D |
73.54 |
| 72.39 |
70
|
D |
82.27 |
| 84.06 |
72
|
Q |
58.35 |
| 59.32 |
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|
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Type: 13C
|
|
Atom |
Mult.(coupling const.) |
Prediction Shift |
| Prediction 0 acd_lotusv7 |
1
|
Q |
14.46 |
| 14.29 |
2
|
D |
139.33 |
| 142.39 |
3
|
S |
127.55 |
| 128.37 |
4
|
Q |
11.98 |
| 12.08 |
5
|
S |
167.28 |
| 167.77 |
8
|
D |
74.62 |
| 72.5 |
9
|
D |
68.90 |
| 66.74 |
10
|
Q |
18.17 |
| 18.26 |
12
|
D |
104.43 |
| 104.39 |
14
|
D |
83.90 |
| 83.54 |
15
|
D |
80.05 |
| 78.01 |
17
|
Q |
57.75 |
| 58.55 |
18
|
T |
37.50 |
| 36.4 |
19
|
D |
102.40 |
| 100.48 |
21
|
D |
83.65 |
| 83.8 |
22
|
D |
74.52 |
| 78.34 |
24
|
Q |
58.90 |
| 58.38 |
25
|
T |
37.20 |
| 36.6 |
26
|
D |
98.52 |
| 96.95 |
28
|
D |
77.80 |
| 78.97 |
29
|
T |
30.18 |
| 29.69 |
30
|
T |
37.40 |
| 37.35 |
31
|
S |
31.33 |
| 39.11 |
32
|
Q |
18.57 |
| 20.1 |
33
|
S |
140.54 |
| 140.33 |
34
|
D |
122.30 |
| 123.39 |
35
|
T |
27.64 |
| 28.4 |
36
|
D |
49.90 |
| 38.17 |
37
|
D |
41.48 |
| 47.83 |
38
|
T |
20.02 |
| 21.97 |
39
|
T |
35.82 |
| 38.34 |
40
|
S |
44.01 |
| 48.8 |
41
|
Q |
18.16 |
| 15.55 |
42
|
D |
51.06 |
| 54.94 |
43
|
D |
77.38 |
| 79.15 |
44
|
Q |
18.71 |
| 21.55 |
46
|
D |
104.30 |
| 104.65 |
48
|
D |
77.71 |
| 75.09 |
49
|
T |
61.10 |
| 62.22 |
51
|
D |
71.70 |
| 69.75 |
|
|
Atom |
Mult.(coupling const.) |
Prediction Shift |
| Prediction 0 acd_lotusv7 |
53
|
D |
76.32 |
| 73.79 |
55
|
D |
74.02 |
| 75.85 |
57
|
T |
27.10 |
| 20.35 |
58
|
T |
34.24 |
| 33.97 |
59
|
S |
85.35 |
| 84.76 |
61
|
T |
39.26 |
| 39.88 |
63
|
D |
69.73 |
| 69.82 |
64
|
Q |
18.23 |
| 18.36 |
66
|
D |
72.30 |
| 69.29 |
67
|
Q |
18.41 |
| 18.41 |
68
|
D |
72.39 |
| 73.54 |
70
|
D |
84.06 |
| 82.27 |
72
|
Q |
59.32 |
| 58.35 |
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