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This molecule with other stereoconfigurations:
13C Spectrum | 60004069
Rating: 7 (7: 7: nmrshiftdb2 quality check: accept/reliability: good (admin)) |
Type: 1H 600.0 Double click to get resizeable window!
|
|
Atom |
Mult.(coupling const.) |
Meas. Shift |
2'-H
|
br s |
4.83 |
2-H
|
br s |
4.83 |
4-H
|
|
|
5'-H
|
d |
7.21 |
5-H
|
m |
7.06 |
6'-H
|
td |
6.63 |
6-H
|
td |
6.59 |
7'-H
|
m |
7.13 |
7-H
|
m |
7.0 |
8'-H
|
d |
6.74 |
8-H
|
d |
6.65 |
11'-H
|
dd |
1.83 |
11-H
|
br t |
4.03 |
12'-H
|
t;m |
2.15, 2.25 |
12-H
|
dd;dd |
2.23, 2.82 |
14'-H
|
d |
8.10 |
14-H
|
s |
7.75 |
15'-H
|
m |
3.99 |
15-H
|
br t |
4.21 |
17'-H
|
dd;dd |
2.74, 3.01 |
17-H
|
m |
2.97 |
19'-H
|
m |
7.01 |
19-H
|
m |
7.13 |
20'-H
|
m |
6.85 |
20-H
|
m |
7.06 |
21'-H
|
m |
6.84 |
21-H
|
m |
7.06 |
22'-H
|
m |
6.85 |
22-H
|
m |
7.06 |
23'-H
|
m |
7.01 |
23-H
|
m |
7.13 |
24-H
|
|
|
|
Double click upper part to get resizeable window!
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|
|
Type: 13C Double click to get resizeable window!
|
|
Atom |
Mult.(coupling const.) |
Prediction Shift |
| expt-0
| Prediction 1 hose_lotusv7 |
1
|
S |
150.33 |
| 151.3 | 150.2 |
2
|
D |
126.21 |
| 124.3 | 124.7 |
3
|
D |
130.51 |
| 129.0 | 128.97 |
5
|
S |
60.77 |
| 58.3 | 58.5 |
7
|
D |
58.32 |
| 56.0 | 56.25 |
8
|
T |
36.71 |
| 36.2 | 35.45 |
9
|
D |
57.35 |
| 56.9 | 56.35 |
11
|
S |
169.81 |
| 167.7 | 168.3 |
12
|
S |
137.75 |
| 134.7 | 135.85 |
13
|
D |
129.74 |
| 128.0 | 128.33 |
14
|
D |
127.93 |
| 126.2 | 126.11 |
15
|
D |
129.74 |
| 128.0 | 128.33 |
18
|
D |
110.50 |
| 109.0 | 108.9 |
19
|
S |
150.33 |
| 149.1 | 150.2 |
20
|
S |
131.84 |
| 139.7 | 133.2 |
21
|
D |
126.21 |
| 125.1 | 124.7 |
22
|
D |
119.60 |
| 117.7 | 117.7 |
23
|
D |
130.20 |
| 128.5 | 128.97 |
25
|
D |
80.42 |
| 78.9 | 77.9 |
26
|
S |
59.91 |
| 58.7 | 58.5 |
28
|
D |
58.32 |
| 56.5 | 56.25 |
29
|
T |
36.71 |
| 34.7 | 35.45 |
30
|
S |
168.46 |
| 168.1 | 166.35 |
31
|
D |
57.09 |
| 55.8 | 56.35 |
33
|
S |
169.77 |
| 168.9 | 168.3 |
34
|
T |
36.88 |
| 34.4 | 36.95 |
35
|
S |
137.21 |
| 137.0 | 135.85 |
36
|
D |
130.32 |
| 129.3 | 129.65 |
37
|
D |
129.71 |
| 127.8 | 128.33 |
38
|
D |
127.92 |
| 126.1 | 126.11 |
39
|
D |
129.71 |
| 127.8 | 128.33 |
40
|
D |
130.32 |
| 129.3 | 129.65 |
43
|
D |
110.81 |
| 108.8 | 108.9 |
44
|
S |
131.84 |
| 126.7 | 133.2 |
45
|
D |
120.68 |
| 117.7 | 117.7 |
46
|
D |
80.42 |
| 76.9 | 77.9 |
47
|
S |
169.31 |
| 164.6 | 166.35 |
48
|
T |
36.44 |
| 39.5 | 36.95 |
49
|
D |
130.72 |
| 130.0 | 129.65 |
50
|
D |
130.72 |
| 130.0 | 129.65 |
|
Double click upper part to get resizeable window!
|
|
|
Type: 13C Double click to get resizeable window!
|
|
Atom |
Mult.(coupling const.) |
Prediction Shift |
| expt-0
| Prediction 1 acd_lotusv7 |
1
|
S |
150.20 |
| 151.3 | 150.33 |
2
|
D |
124.70 |
| 124.3 | 126.21 |
3
|
D |
128.97 |
| 129.0 | 130.51 |
5
|
S |
58.50 |
| 58.3 | 60.77 |
7
|
D |
56.25 |
| 56.0 | 58.32 |
8
|
T |
35.45 |
| 36.2 | 36.71 |
9
|
D |
56.35 |
| 56.9 | 57.35 |
11
|
S |
168.30 |
| 167.7 | 169.81 |
12
|
S |
135.85 |
| 134.7 | 137.75 |
13
|
D |
128.33 |
| 128.0 | 129.74 |
14
|
D |
126.11 |
| 126.2 | 127.93 |
15
|
D |
128.33 |
| 128.0 | 129.74 |
18
|
D |
108.90 |
| 109.0 | 110.5 |
19
|
S |
150.20 |
| 149.1 | 150.33 |
20
|
S |
133.20 |
| 139.7 | 131.84 |
21
|
D |
124.70 |
| 125.1 | 126.21 |
22
|
D |
117.70 |
| 117.7 | 119.6 |
23
|
D |
128.97 |
| 128.5 | 130.2 |
25
|
D |
77.90 |
| 78.9 | 80.42 |
26
|
S |
58.50 |
| 58.7 | 59.91 |
28
|
D |
56.25 |
| 56.5 | 58.32 |
29
|
T |
35.45 |
| 34.7 | 36.71 |
30
|
S |
166.35 |
| 168.1 | 168.46 |
31
|
D |
56.35 |
| 55.8 | 57.09 |
33
|
S |
168.30 |
| 168.9 | 169.77 |
34
|
T |
36.95 |
| 34.4 | 36.88 |
35
|
S |
135.85 |
| 137.0 | 137.21 |
36
|
D |
129.65 |
| 129.3 | 130.32 |
37
|
D |
128.33 |
| 127.8 | 129.71 |
38
|
D |
126.11 |
| 126.1 | 127.92 |
39
|
D |
128.33 |
| 127.8 | 129.71 |
40
|
D |
129.65 |
| 129.3 | 130.32 |
43
|
D |
108.90 |
| 108.8 | 110.81 |
44
|
S |
133.20 |
| 126.7 | 131.84 |
45
|
D |
117.70 |
| 117.7 | 120.68 |
46
|
D |
77.90 |
| 76.9 | 80.42 |
47
|
S |
166.35 |
| 164.6 | 169.31 |
48
|
T |
36.95 |
| 39.5 | 36.44 |
49
|
D |
129.65 |
| 130.0 | 130.72 |
50
|
D |
129.65 |
| 130.0 | 130.72 |
|
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