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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 |
11.54 |
| 12.23 |
2
|
T |
27.50 |
| 27.78 |
3
|
D |
35.50 |
| 36.05 |
4
|
Q |
12.45 |
| 12.83 |
5
|
D |
77.10 |
| 74.69 |
7
|
S |
96.65 |
| 100.42 |
8
|
T |
33.92 |
| 33.05 |
9
|
T |
27.81 |
| 26.94 |
10
|
D |
31.20 |
| 32.74 |
11
|
Q |
17.53 |
| 14.38 |
12
|
T |
41.85 |
| 41.3 |
13
|
D |
68.58 |
| 69.15 |
14
|
T |
36.27 |
| 36.85 |
15
|
D |
68.38 |
| 70.2 |
16
|
T |
35.72 |
| 34.75 |
17
|
D |
125.44 |
| 118.06 |
18
|
S |
137.69 |
| 132.99 |
19
|
Q |
11.40 |
| 11.35 |
20
|
D |
83.14 |
| 81.52 |
22
|
D |
93.20 |
| 101.8 |
23
|
T |
34.80 |
| 37.12 |
24
|
D |
79.30 |
| 71.39 |
26
|
Q |
56.30 |
| 58.9 |
27
|
D |
82.10 |
| 83.65 |
29
|
D |
99.20 |
| 99.8 |
30
|
T |
34.40 |
| 35.52 |
31
|
D |
78.40 |
| 71.39 |
33
|
Q |
56.40 |
| 58.9 |
34
|
D |
76.00 |
| 72.73 |
36
|
D |
68.20 |
| 73.57 |
37
|
Q |
17.60 |
| 19.2 |
39
|
D |
66.80 |
| 69.73 |
40
|
Q |
17.40 |
| 18.23 |
42
|
D |
39.30 |
| 41.76 |
43
|
Q |
18.25 |
| 17.22 |
44
|
D |
139.90 |
| 136.78 |
45
|
D |
125.61 |
| 127.36 |
46
|
D |
120.20 |
| 128.17 |
47
|
S |
141.64 |
| 167.0 |
48
|
T |
68.83 |
| 72.17 |
|
|
Atom |
Mult.(coupling const.) |
Prediction Shift |
| Prediction 0 hose_lotusv7 |
50
|
D |
82.73 |
| 80.18 |
51
|
D |
67.73 |
| 65.7 |
53
|
S |
136.32 |
| 133.8 |
54
|
Q |
19.23 |
| 17.94 |
55
|
D |
117.36 |
| 127.7 |
56
|
D |
49.68 |
| 49.27 |
57
|
S |
173.06 |
| 171.87 |
60
|
S |
77.87 |
| 77.45 |
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Type: 13C
|
|
Atom |
Mult.(coupling const.) |
Prediction Shift |
| Prediction 0 acd_lotusv7 |
1
|
Q |
12.23 |
| 11.54 |
2
|
T |
27.78 |
| 27.5 |
3
|
D |
36.05 |
| 35.5 |
4
|
Q |
12.83 |
| 12.45 |
5
|
D |
74.69 |
| 77.1 |
7
|
S |
100.42 |
| 96.65 |
8
|
T |
33.05 |
| 33.92 |
9
|
T |
26.94 |
| 27.81 |
10
|
D |
32.74 |
| 31.2 |
11
|
Q |
14.38 |
| 17.53 |
12
|
T |
41.30 |
| 41.85 |
13
|
D |
69.15 |
| 68.58 |
14
|
T |
36.85 |
| 36.27 |
15
|
D |
70.20 |
| 68.38 |
16
|
T |
34.75 |
| 35.72 |
17
|
D |
118.06 |
| 125.44 |
18
|
S |
132.99 |
| 137.69 |
19
|
Q |
11.35 |
| 11.4 |
20
|
D |
81.52 |
| 83.14 |
22
|
D |
101.80 |
| 93.2 |
23
|
T |
37.12 |
| 34.8 |
24
|
D |
71.39 |
| 79.3 |
26
|
Q |
58.90 |
| 56.3 |
27
|
D |
83.65 |
| 82.1 |
29
|
D |
99.80 |
| 99.2 |
30
|
T |
35.52 |
| 34.4 |
31
|
D |
71.39 |
| 78.4 |
33
|
Q |
58.90 |
| 56.4 |
34
|
D |
72.73 |
| 76.0 |
36
|
D |
73.57 |
| 68.2 |
37
|
Q |
19.20 |
| 17.6 |
39
|
D |
69.73 |
| 66.8 |
40
|
Q |
18.23 |
| 17.4 |
42
|
D |
41.76 |
| 39.3 |
43
|
Q |
17.22 |
| 18.25 |
44
|
D |
136.78 |
| 139.9 |
45
|
D |
127.36 |
| 125.61 |
46
|
D |
128.17 |
| 120.2 |
47
|
S |
167.00 |
| 141.64 |
48
|
T |
72.17 |
| 68.83 |
|
|
Atom |
Mult.(coupling const.) |
Prediction Shift |
| Prediction 0 acd_lotusv7 |
50
|
D |
80.18 |
| 82.73 |
51
|
D |
65.70 |
| 67.73 |
53
|
S |
133.80 |
| 136.32 |
54
|
Q |
17.94 |
| 19.23 |
55
|
D |
127.70 |
| 117.36 |
56
|
D |
49.27 |
| 49.68 |
57
|
S |
171.87 |
| 173.06 |
60
|
S |
77.45 |
| 77.87 |
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