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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 |
18.40 |
| 18.52 |
2
|
D |
69.70 |
| 68.48 |
4
|
D |
101.60 |
| 102.2 |
6
|
D |
83.80 |
| 84.13 |
7
|
D |
105.91 |
| 105.59 |
9
|
D |
88.90 |
| 88.7 |
10
|
T |
26.90 |
| 26.7 |
11
|
T |
37.21 |
| 38.75 |
12
|
S |
37.40 |
| 37.25 |
13
|
Q |
16.13 |
| 16.4 |
14
|
D |
56.40 |
| 56.1 |
15
|
T |
17.94 |
| 18.3 |
16
|
T |
39.68 |
| 36.05 |
17
|
S |
41.43 |
| 37.5 |
18
|
Q |
16.55 |
| 18.85 |
19
|
D |
53.92 |
| 53.05 |
20
|
T |
22.62 |
| 21.59 |
21
|
T |
27.07 |
| 26.95 |
22
|
D |
42.59 |
| 50.57 |
23
|
D |
59.99 |
| 59.92 |
24
|
S |
73.58 |
| 74.25 |
25
|
Q |
27.56 |
| 26.02 |
27
|
T |
44.01 |
| 44.0 |
28
|
D |
121.92 |
| 127.6 |
29
|
D |
142.93 |
| 141.3 |
30
|
S |
70.57 |
| 70.66 |
31
|
Q |
30.09 |
| 29.77 |
32
|
Q |
30.09 |
| 29.77 |
34
|
S |
217.46 |
| 219.43 |
36
|
T |
44.93 |
| 48.42 |
37
|
S |
47.11 |
| 47.7 |
38
|
T |
68.65 |
| 66.85 |
40
|
D |
105.12 |
| 104.72 |
42
|
D |
78.75 |
| 76.76 |
43
|
T |
62.89 |
| 62.77 |
45
|
D |
71.86 |
| 71.65 |
47
|
D |
79.04 |
| 77.09 |
49
|
D |
75.50 |
| 74.55 |
51
|
S |
40.10 |
| 39.8 |
52
|
Q |
24.00 |
| 21.7 |
|
|
Atom |
Mult.(coupling const.) |
Prediction Shift |
| Prediction 0 hose_lotusv7 |
53
|
Q |
22.33 |
| 21.7 |
55
|
T |
64.50 |
| 66.62 |
56
|
D |
68.50 |
| 69.02 |
58
|
D |
73.60 |
| 78.11 |
60
|
D |
72.20 |
| 72.33 |
62
|
D |
72.40 |
| 70.73 |
64
|
D |
73.80 |
| 74.03 |
|
|
Type: 13C
|
|
Atom |
Mult.(coupling const.) |
Prediction Shift |
| Prediction 0 acd_lotusv7 |
1
|
Q |
18.52 |
| 18.4 |
2
|
D |
68.48 |
| 69.7 |
4
|
D |
102.20 |
| 101.6 |
6
|
D |
84.13 |
| 83.8 |
7
|
D |
105.59 |
| 105.91 |
9
|
D |
88.70 |
| 88.9 |
10
|
T |
26.70 |
| 26.9 |
11
|
T |
38.75 |
| 37.21 |
12
|
S |
37.25 |
| 37.4 |
13
|
Q |
16.40 |
| 16.13 |
14
|
D |
56.10 |
| 56.4 |
15
|
T |
18.30 |
| 17.94 |
16
|
T |
36.05 |
| 39.68 |
17
|
S |
37.50 |
| 41.43 |
18
|
Q |
18.85 |
| 16.55 |
19
|
D |
53.05 |
| 53.92 |
20
|
T |
21.59 |
| 22.62 |
21
|
T |
26.95 |
| 27.07 |
22
|
D |
50.57 |
| 42.59 |
23
|
D |
59.92 |
| 59.99 |
24
|
S |
74.25 |
| 73.58 |
25
|
Q |
26.02 |
| 27.56 |
27
|
T |
44.00 |
| 44.01 |
28
|
D |
127.60 |
| 121.92 |
29
|
D |
141.30 |
| 142.93 |
30
|
S |
70.66 |
| 70.57 |
31
|
Q |
29.77 |
| 30.09 |
32
|
Q |
29.77 |
| 30.09 |
34
|
S |
219.43 |
| 217.46 |
36
|
T |
48.42 |
| 44.93 |
37
|
S |
47.70 |
| 47.11 |
38
|
T |
66.85 |
| 68.65 |
40
|
D |
104.72 |
| 105.12 |
42
|
D |
76.76 |
| 78.75 |
43
|
T |
62.77 |
| 62.89 |
45
|
D |
71.65 |
| 71.86 |
47
|
D |
77.09 |
| 79.04 |
49
|
D |
74.55 |
| 75.5 |
51
|
S |
39.80 |
| 40.1 |
52
|
Q |
21.70 |
| 24.0 |
|
|
Atom |
Mult.(coupling const.) |
Prediction Shift |
| Prediction 0 acd_lotusv7 |
53
|
Q |
21.70 |
| 22.33 |
55
|
T |
66.62 |
| 64.5 |
56
|
D |
69.02 |
| 68.5 |
58
|
D |
78.11 |
| 73.6 |
60
|
D |
72.33 |
| 72.2 |
62
|
D |
70.73 |
| 72.4 |
64
|
D |
74.03 |
| 73.8 |
|
|
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