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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 |
55.87 |
| 56.4 |
3
|
S |
165.50 |
| 165.31 |
4
|
D |
98.40 |
| 96.33 |
5
|
S |
162.40 |
| 161.59 |
7
|
S |
106.30 |
| 108.4 |
8
|
S |
178.80 |
| 178.82 |
10
|
S |
134.70 |
| 132.67 |
12
|
D |
100.20 |
| 101.4 |
14
|
D |
77.20 |
| 76.55 |
15
|
T |
67.60 |
| 67.1 |
17
|
D |
102.40 |
| 100.29 |
19
|
D |
69.80 |
| 68.32 |
20
|
Q |
18.00 |
| 18.2 |
21
|
D |
74.10 |
| 71.85 |
23
|
D |
72.40 |
| 70.69 |
25
|
D |
72.10 |
| 70.36 |
27
|
D |
71.30 |
| 71.4 |
29
|
D |
78.20 |
| 76.65 |
31
|
D |
84.00 |
| 81.5 |
33
|
D |
106.20 |
| 106.2 |
35
|
D |
75.80 |
| 73.6 |
36
|
T |
64.47 |
| 62.9 |
38
|
S |
168.80 |
| 166.98 |
40
|
D |
115.90 |
| 116.29 |
41
|
D |
147.10 |
| 145.1 |
42
|
S |
126.60 |
| 126.1 |
43
|
D |
106.90 |
| 105.0 |
44
|
S |
149.50 |
| 147.66 |
46
|
Q |
56.90 |
| 56.27 |
47
|
S |
139.70 |
| 136.67 |
49
|
S |
149.50 |
| 147.66 |
51
|
Q |
56.90 |
| 56.27 |
52
|
D |
106.90 |
| 105.0 |
53
|
D |
70.94 |
| 69.9 |
55
|
D |
77.93 |
| 75.9 |
57
|
D |
76.10 |
| 74.1 |
59
|
S |
157.80 |
| 158.86 |
60
|
S |
120.97 |
| 121.11 |
61
|
D |
130.90 |
| 130.94 |
62
|
D |
115.30 |
| 115.18 |
|
|
Atom |
Mult.(coupling const.) |
Prediction Shift |
| Prediction 0 hose_lotusv7 |
63
|
S |
161.70 |
| 160.12 |
65
|
D |
115.30 |
| 115.18 |
66
|
D |
130.90 |
| 130.94 |
68
|
S |
157.30 |
| 157.41 |
69
|
D |
92.30 |
| 92.34 |
|
|
Type: 13C
|
|
Atom |
Mult.(coupling const.) |
Prediction Shift |
| Prediction 0 acd_lotusv7 |
1
|
Q |
56.40 |
| 55.87 |
3
|
S |
165.31 |
| 165.5 |
4
|
D |
96.33 |
| 98.4 |
5
|
S |
161.59 |
| 162.4 |
7
|
S |
108.40 |
| 106.3 |
8
|
S |
178.82 |
| 178.8 |
10
|
S |
132.67 |
| 134.7 |
12
|
D |
101.40 |
| 100.2 |
14
|
D |
76.55 |
| 77.2 |
15
|
T |
67.10 |
| 67.6 |
17
|
D |
100.29 |
| 102.4 |
19
|
D |
68.32 |
| 69.8 |
20
|
Q |
18.20 |
| 18.0 |
21
|
D |
71.85 |
| 74.1 |
23
|
D |
70.69 |
| 72.4 |
25
|
D |
70.36 |
| 72.1 |
27
|
D |
71.40 |
| 71.3 |
29
|
D |
76.65 |
| 78.2 |
31
|
D |
81.50 |
| 84.0 |
33
|
D |
106.20 |
| 106.2 |
35
|
D |
73.60 |
| 75.8 |
36
|
T |
62.90 |
| 64.47 |
38
|
S |
166.98 |
| 168.8 |
40
|
D |
116.29 |
| 115.9 |
41
|
D |
145.10 |
| 147.1 |
42
|
S |
126.10 |
| 126.6 |
43
|
D |
105.00 |
| 106.9 |
44
|
S |
147.66 |
| 149.5 |
46
|
Q |
56.27 |
| 56.9 |
47
|
S |
136.67 |
| 139.7 |
49
|
S |
147.66 |
| 149.5 |
51
|
Q |
56.27 |
| 56.9 |
52
|
D |
105.00 |
| 106.9 |
53
|
D |
69.90 |
| 70.94 |
55
|
D |
75.90 |
| 77.93 |
57
|
D |
74.10 |
| 76.1 |
59
|
S |
158.86 |
| 157.8 |
60
|
S |
121.11 |
| 120.97 |
61
|
D |
130.94 |
| 130.9 |
62
|
D |
115.18 |
| 115.3 |
|
|
Atom |
Mult.(coupling const.) |
Prediction Shift |
| Prediction 0 acd_lotusv7 |
63
|
S |
160.12 |
| 161.7 |
65
|
D |
115.18 |
| 115.3 |
66
|
D |
130.94 |
| 130.9 |
68
|
S |
157.41 |
| 157.3 |
69
|
D |
92.34 |
| 92.3 |
|
|
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