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Details
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Type: 1H Unreported
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Atom |
Mult.(coupling const.) |
Meas. Shift |
2-H
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3-H
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4-H
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5-H
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6-H
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5.03 |
7-H
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8-H
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10-H
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6.27 |
12-H
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13-H
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14-H
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15-H
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17-H
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4.28 |
19-H
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21-H
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23-H
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24-H
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25-H
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26-H
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27-H
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28-H
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5.37 |
31-H
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32-H
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34-H
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35-H
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37-H
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38-H
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39-H
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1.56 |
40-H
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42-H
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5.51 |
44-H
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45-H
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46-H
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47-H
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48-H
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49-H
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4.35 |
50-H
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51-H
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52-H
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53-H
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Atom |
Mult.(coupling const.) |
Meas. Shift |
54-H
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57-H
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58-H
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59-H
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60-H
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61-H
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62-H
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63-H
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65-H
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3.71 |
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Type: 13C
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Atom |
Mult.(coupling const.) |
Prediction Shift |
| Prediction 0 hose_lotusv7 |
2
|
T |
66.23 |
| 66.62 |
3
|
D |
69.70 |
| 69.02 |
4
|
D |
74.63 |
| 78.11 |
5
|
D |
75.67 |
| 84.13 |
6
|
D |
104.83 |
| 105.42 |
10
|
D |
101.37 |
| 101.4 |
12
|
D |
69.63 |
| 72.7 |
13
|
D |
72.64 |
| 75.1 |
14
|
D |
82.85 |
| 83.7 |
15
|
D |
71.50 |
| 74.12 |
17
|
D |
81.20 |
| 90.4 |
18
|
S |
43.60 |
| 44.1 |
19
|
D |
47.60 |
| 56.3 |
20
|
S |
37.60 |
| 36.6 |
21
|
D |
48.00 |
| 48.1 |
22
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S |
39.70 |
| 39.2 |
23
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T |
35.67 |
| 33.41 |
24
|
T |
18.10 |
| 18.7 |
25
|
T |
26.40 |
| 26.5 |
26
|
T |
37.85 |
| 38.8 |
27
|
T |
26.65 |
| 23.3 |
28
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D |
122.90 |
| 121.5 |
29
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S |
142.10 |
| 142.7 |
30
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S |
41.90 |
| 39.1 |
31
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T |
33.52 |
| 29.8 |
32
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T |
25.91 |
| 22.5 |
33
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S |
46.90 |
| 45.7 |
34
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T |
32.70 |
| 32.2 |
35
|
T |
33.83 |
| 32.9 |
36
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S |
30.80 |
| 31.1 |
37
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T |
46.00 |
| 45.7 |
38
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D |
41.80 |
| 40.8 |
39
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Q |
18.30 |
| 18.8 |
42
|
D |
106.47 |
| 105.85 |
44
|
D |
78.47 |
| 77.04 |
45
|
D |
71.42 |
| 71.7 |
46
|
D |
78.23 |
| 76.28 |
47
|
D |
75.38 |
| 75.54 |
49
|
T |
64.00 |
| 63.2 |
51
|
Q |
14.20 |
| 23.1 |
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Atom |
Mult.(coupling const.) |
Prediction Shift |
| Prediction 0 hose_lotusv7 |
52
|
Q |
16.10 |
| 15.5 |
53
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Q |
17.20 |
| 16.87 |
54
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Q |
24.94 |
| 26.08 |
55
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S |
177.72 |
| 177.67 |
57
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Q |
29.80 |
| 28.34 |
58
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Q |
30.44 |
| 28.34 |
59
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T |
62.36 |
| 61.1 |
65
|
Q |
51.36 |
| 51.13 |
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Type: 13C
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Atom |
Mult.(coupling const.) |
Prediction Shift |
| Prediction 0 acd_lotusv7 |
2
|
T |
66.62 |
| 66.23 |
3
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D |
69.02 |
| 69.7 |
4
|
D |
78.11 |
| 74.63 |
5
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D |
84.13 |
| 75.67 |
6
|
D |
105.42 |
| 104.83 |
10
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D |
101.40 |
| 101.37 |
12
|
D |
72.70 |
| 69.63 |
13
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D |
75.10 |
| 72.64 |
14
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D |
83.70 |
| 82.85 |
15
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D |
74.12 |
| 71.5 |
17
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D |
90.40 |
| 81.2 |
18
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S |
44.10 |
| 43.6 |
19
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D |
56.30 |
| 47.6 |
20
|
S |
36.60 |
| 37.6 |
21
|
D |
48.10 |
| 48.0 |
22
|
S |
39.20 |
| 39.7 |
23
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T |
33.41 |
| 35.67 |
24
|
T |
18.70 |
| 18.1 |
25
|
T |
26.50 |
| 26.4 |
26
|
T |
38.80 |
| 37.85 |
27
|
T |
23.30 |
| 26.65 |
28
|
D |
121.50 |
| 122.9 |
29
|
S |
142.70 |
| 142.1 |
30
|
S |
39.10 |
| 41.9 |
31
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T |
29.80 |
| 33.52 |
32
|
T |
22.50 |
| 25.91 |
33
|
S |
45.70 |
| 46.9 |
34
|
T |
32.20 |
| 32.7 |
35
|
T |
32.90 |
| 33.83 |
36
|
S |
31.10 |
| 30.8 |
37
|
S |
45.70 |
| 46.0 |
38
|
D |
40.80 |
| 41.8 |
39
|
Q |
18.80 |
| 18.3 |
42
|
D |
105.85 |
| 106.47 |
44
|
D |
77.04 |
| 78.47 |
45
|
D |
71.70 |
| 71.42 |
46
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D |
76.28 |
| 78.23 |
47
|
D |
75.54 |
| 75.38 |
49
|
T |
63.20 |
| 64.0 |
51
|
Q |
23.10 |
| 14.2 |
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Atom |
Mult.(coupling const.) |
Prediction Shift |
| Prediction 0 acd_lotusv7 |
52
|
Q |
15.50 |
| 16.1 |
53
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Q |
16.87 |
| 17.2 |
54
|
Q |
26.08 |
| 24.94 |
55
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S |
177.67 |
| 177.72 |
57
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Q |
28.34 |
| 29.8 |
58
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Q |
28.34 |
| 30.44 |
59
|
T |
61.10 |
| 62.36 |
65
|
Q |
51.13 |
| 51.36 |
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