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This molecule with other stereoconfigurations:
Type: 1H Unreported Double click to get resizeable window!
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Atom |
Mult.(coupling const.) |
Meas. Shift |
3-H
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5.02 (H 43) |
5-H
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6-H
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7-H
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9-H
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12-H
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3.79 |
13-H
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15-H
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16-H
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17-H
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18-H
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20-H
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5.12 |
24-H
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25-H
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6.36 |
27-H
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28-H
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1.43 |
30-H
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3.50 |
31-H
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1.32 |
32-H
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34-H
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1.68 |
35-H
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37-H
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6.28 |
40-H
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5.20 |
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Double click upper part to get resizeable window!
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Type: 13C Double click to get resizeable window!
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|
Atom |
Mult.(coupling const.) |
Prediction Shift |
| Prediction 0 hose_lotusv7 |
2
|
S |
93.00 |
| 97.76 |
3
|
D |
97.50 |
| 103.3 |
5
|
D |
70.50 |
| 72.23 |
6
|
D |
66.90 |
| 76.65 |
7
|
T |
40.34 |
| 41.0 |
8
|
S |
40.94 |
| 39.81 |
9
|
D |
49.57 |
| 51.05 |
10
|
S |
63.50 |
| 70.41 |
12
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D |
56.90 |
| 56.05 |
13
|
T |
30.15 |
| 37.24 |
14
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S |
140.00 |
| 147.38 |
15
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D |
122.00 |
| 129.85 |
16
|
D |
82.90 |
| 73.03 |
17
|
T |
35.20 |
| 35.41 |
18
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D |
68.40 |
| 70.82 |
20
|
D |
73.55 |
| 74.55 |
21
|
S |
213.00 |
| 213.9 |
22
|
S |
67.30 |
| 48.43 |
23
|
S |
82.40 |
| 85.6 |
24
|
T |
43.60 |
| 37.62 |
25
|
D |
136.00 |
| 129.74 |
26
|
S |
137.50 |
| 155.52 |
28
|
Q |
21.40 |
| 21.65 |
30
|
Q |
57.90 |
| 60.2 |
31
|
Q |
21.40 |
| 21.13 |
34
|
Q |
17.60 |
| 21.79 |
36
|
S |
160.20 |
| 141.74 |
37
|
D |
114.50 |
| 116.2 |
38
|
S |
174.50 |
| 174.09 |
40
|
T |
72.10 |
| 72.17 |
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Double click upper part to get resizeable window!
|
Type: 13C Double click to get resizeable window!
|
|
Atom |
Mult.(coupling const.) |
Prediction Shift |
| Prediction 0 acd_lotusv7 |
2
|
S |
97.76 |
| 93.0 |
3
|
D |
103.30 |
| 97.5 |
5
|
D |
72.23 |
| 70.5 |
6
|
D |
76.65 |
| 66.9 |
7
|
T |
41.00 |
| 40.34 |
8
|
S |
39.81 |
| 40.94 |
9
|
D |
51.05 |
| 49.57 |
10
|
S |
70.41 |
| 63.5 |
12
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D |
56.05 |
| 56.9 |
13
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T |
37.24 |
| 30.15 |
14
|
S |
147.38 |
| 140.0 |
15
|
D |
129.85 |
| 122.0 |
16
|
D |
73.03 |
| 82.9 |
17
|
T |
35.41 |
| 35.2 |
18
|
D |
70.82 |
| 68.4 |
20
|
D |
74.55 |
| 73.55 |
21
|
S |
213.90 |
| 213.0 |
22
|
S |
48.43 |
| 67.3 |
23
|
S |
85.60 |
| 82.4 |
24
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T |
37.62 |
| 43.6 |
25
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D |
129.74 |
| 136.0 |
26
|
S |
155.52 |
| 137.5 |
28
|
Q |
21.65 |
| 21.4 |
30
|
Q |
60.20 |
| 57.9 |
31
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Q |
21.13 |
| 21.4 |
34
|
Q |
21.79 |
| 17.6 |
36
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S |
141.74 |
| 160.2 |
37
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D |
116.20 |
| 114.5 |
38
|
S |
174.09 |
| 174.5 |
40
|
T |
72.17 |
| 72.1 |
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