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Details
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This molecule with other stereoconfigurations:
Type: 13C
|
|
Atom |
Mult.(coupling const.) |
Prediction Shift |
| Prediction 0 hose_lotusv7 |
1
|
Q |
18.82 |
| 18.52 |
2
|
D |
70.14 |
| 69.54 |
4
|
D |
102.04 |
| 101.9 |
6
|
D |
78.94 |
| 78.67 |
7
|
D |
105.00 |
| 100.9 |
9
|
D |
74.60 |
| 77.97 |
10
|
T |
65.20 |
| 64.08 |
12
|
D |
106.61 |
| 107.46 |
14
|
D |
89.10 |
| 88.7 |
15
|
T |
26.70 |
| 26.8 |
16
|
T |
37.31 |
| 39.17 |
17
|
S |
36.78 |
| 37.12 |
18
|
Q |
16.13 |
| 16.14 |
19
|
D |
55.80 |
| 56.43 |
20
|
T |
17.39 |
| 18.14 |
21
|
T |
34.28 |
| 33.04 |
22
|
S |
42.75 |
| 41.86 |
23
|
Q |
18.60 |
| 15.92 |
24
|
D |
51.42 |
| 50.32 |
25
|
T |
21.35 |
| 21.5 |
26
|
T |
33.20 |
| 32.7 |
27
|
S |
90.83 |
| 91.74 |
29
|
T |
75.19 |
| 73.49 |
30
|
S |
45.50 |
| 49.03 |
31
|
T |
31.02 |
| 31.3 |
32
|
T |
33.80 |
| 35.15 |
33
|
S |
49.20 |
| 49.3 |
34
|
Q |
23.43 |
| 24.1 |
35
|
D |
208.94 |
| 205.9 |
37
|
T |
30.60 |
| 35.89 |
38
|
D |
48.55 |
| 50.6 |
39
|
D |
77.90 |
| 73.2 |
41
|
T |
37.30 |
| 42.49 |
42
|
S |
44.74 |
| 43.03 |
43
|
Q |
18.92 |
| 16.2 |
44
|
S |
39.90 |
| 39.8 |
45
|
Q |
24.04 |
| 21.7 |
46
|
Q |
22.37 |
| 21.7 |
47
|
D |
74.52 |
| 74.1 |
49
|
D |
73.70 |
| 72.73 |
|
|
Atom |
Mult.(coupling const.) |
Prediction Shift |
| Prediction 0 hose_lotusv7 |
52
|
D |
78.29 |
| 77.67 |
53
|
T |
62.86 |
| 63.07 |
55
|
D |
72.05 |
| 72.07 |
57
|
D |
78.99 |
| 72.09 |
59
|
D |
72.15 |
| 72.4 |
61
|
D |
72.46 |
| 72.25 |
63
|
D |
74.66 |
| 74.03 |
|
|
Type: 13C
|
|
Atom |
Mult.(coupling const.) |
Prediction Shift |
| Prediction 0 acd_lotusv7 |
1
|
Q |
18.52 |
| 18.82 |
2
|
D |
69.54 |
| 70.14 |
4
|
D |
101.90 |
| 102.04 |
6
|
D |
78.67 |
| 78.94 |
7
|
D |
100.90 |
| 105.0 |
9
|
D |
77.97 |
| 74.6 |
10
|
T |
64.08 |
| 65.2 |
12
|
D |
107.46 |
| 106.61 |
14
|
D |
88.70 |
| 89.1 |
15
|
T |
26.80 |
| 26.7 |
16
|
T |
39.17 |
| 37.31 |
17
|
S |
37.12 |
| 36.78 |
18
|
Q |
16.14 |
| 16.13 |
19
|
D |
56.43 |
| 55.8 |
20
|
T |
18.14 |
| 17.39 |
21
|
T |
33.04 |
| 34.28 |
22
|
S |
41.86 |
| 42.75 |
23
|
Q |
15.92 |
| 18.6 |
24
|
D |
50.32 |
| 51.42 |
25
|
T |
21.50 |
| 21.35 |
26
|
T |
32.70 |
| 33.2 |
27
|
S |
91.74 |
| 90.83 |
29
|
T |
73.49 |
| 75.19 |
30
|
S |
49.03 |
| 45.5 |
31
|
T |
31.30 |
| 31.02 |
32
|
T |
35.15 |
| 33.8 |
33
|
S |
49.30 |
| 49.2 |
34
|
Q |
24.10 |
| 23.43 |
35
|
D |
205.90 |
| 208.94 |
37
|
T |
35.89 |
| 30.6 |
38
|
D |
50.60 |
| 48.55 |
39
|
D |
73.20 |
| 77.9 |
41
|
T |
42.49 |
| 37.3 |
42
|
S |
43.03 |
| 44.74 |
43
|
Q |
16.20 |
| 18.92 |
44
|
S |
39.80 |
| 39.9 |
45
|
Q |
21.70 |
| 24.04 |
46
|
Q |
21.70 |
| 22.37 |
47
|
D |
74.10 |
| 74.52 |
49
|
D |
72.73 |
| 73.7 |
|
|
Atom |
Mult.(coupling const.) |
Prediction Shift |
| Prediction 0 acd_lotusv7 |
52
|
D |
77.67 |
| 78.29 |
53
|
T |
63.07 |
| 62.86 |
55
|
D |
72.07 |
| 72.05 |
57
|
D |
72.09 |
| 78.99 |
59
|
D |
72.40 |
| 72.15 |
61
|
D |
72.25 |
| 72.46 |
63
|
D |
74.03 |
| 74.66 |
|
|
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