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Details
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1H Spectrum | 20197098
Rating: 10 |
Type: 1H Unreported
|
|
Atom |
Mult.(coupling const.) |
Meas. Shift |
| expt-0
| expt-1
|
1-H
|
|
4.3 |
| 4.35 | 2.94 |
|
|
Type: 1H 60
|
|
Atom |
Mult.(coupling const.) |
Meas. Shift |
| expt-0
| expt-1
|
1-H
|
|
4.35 |
| 4.3 | 2.94 |
|
|
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>
|
31
|
Q |
19.60 |
| 17.45 |
32
|
T |
43.70 |
| 43.7 |
33
|
D |
73.00 |
| 73.0 |
35
|
S |
105.90 |
| 105.9 |
36
|
T |
36.70 |
| 36.7 |
37
|
D |
27.19 |
| 26.0 |
38
|
Q |
20.81 |
| 21.0 |
39
|
D |
49.77 |
| 56.5 |
40
|
S |
48.80 |
| 48.8 |
41
|
Q |
13.50 |
| 13.5 |
43
|
T |
68.55 |
| 68.8 |
44
|
S |
63.00 |
| 63.3 |
45
|
Q |
13.60 |
| 13.8 |
47
|
D |
64.72 |
| 63.3 |
|
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|
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|
|
Atom |
Mult.(coupling const.) |
Prediction Shift |
| Prediction 0 acd_lotusv7 |
1
|
Q |
21.10 |
| 21.2 |
2
|
S |
170.43 |
| 170.65 |
5
|
D |
77.10 |
| 77.1 |
6
|
T |
36.43 |
| 36.65 |
7
|
S |
20.00 |
| 20.15 |
8
|
T |
29.47 |
| 22.54 |
9
|
S |
26.67 |
| 24.98 |
10
|
T |
31.80 |
| 31.9 |
11
|
T |
29.77 |
| 29.9 |
12
|
D |
88.10 |
| 88.07 |
14
|
D |
107.46 |
| 107.5 |
16
|
T |
66.98 |
| 66.8 |
17
|
D |
71.30 |
| 69.6 |
19
|
D |
77.76 |
| 74.5 |
21
|
D |
74.92 |
| 74.63 |
23
|
S |
41.07 |
| 40.07 |
24
|
Q |
20.96 |
| 23.89 |
25
|
Q |
20.96 |
| 22.22 |
26
|
D |
46.40 |
| 46.97 |
27
|
T |
20.30 |
| 20.97 |
28
|
T |
25.70 |
| 25.6 |
29
|
D |
46.40 |
| 45.67 |
30
|
S |
48.00 |
| 48.04 |
31
|
Q |
17.45 |
| 19.6 |
32
|
T |
43.70 |
| 43.7 |
33
|
D |
73.00 |
| 73.0 |
35
|
S |
105.90 |
| 105.9 |
36
|
T |
36.70 |
| 36.7 |
37
|
D |
26.00 |
| 27.19 |
38
|
Q |
21.00 |
| 20.81 |
39
|
D |
56.50 |
| 49.77 |
40
|
S |
48.80 |
| 48.8 |
41
|
Q |
13.50 |
| 13.5 |
43
|
T |
68.80 |
| 68.55 |
44
|
S |
63.30 |
| 63.0 |
45
|
Q |
13.80 |
| 13.6 |
47
|
S |
63.30 |
| 64.72 |
|
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|
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