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Details
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Type: 13C 
|
|
Atom |
Mult.(coupling const.) |
Prediction
Shift |
| Prediction 0
hose_lotusv7 |
|
1
|
Q |
13.92 |
| 14.45 |
|
2
|
D |
39.90 |
| 44.3 |
|
3
|
T |
30.20 |
| 31.1 |
|
4
|
T |
52.80 |
| 49.91 |
|
6
|
T |
57.88 |
| 49.81 |
|
7
|
S |
61.70 |
| 68.4 |
|
8
|
T |
39.60 |
| 48.2 |
|
9
|
S |
60.90 |
| 51.56 |
|
10
|
S |
182.11 |
| 177.8 |
|
13
|
S |
142.80 |
| 141.69 |
|
14
|
S |
121.70 |
| 133.34 |
|
15
|
D |
132.30 |
| 118.2 |
|
16
|
D |
109.60 |
| 112.05 |
|
17
|
S |
159.20 |
| 156.07 |
|
18
|
S |
105.00 |
| 110.58 |
|
19
|
S |
193.70 |
| 195.93 |
|
21
|
T |
48.80 |
| 49.49 |
|
22
|
S |
79.50 |
| 80.97 |
|
23
|
Q |
29.63 |
| 26.61 |
|
24
|
Q |
26.35 |
| 26.61 |
|
26
|
S |
46.40 |
| 46.7 |
|
27
|
Q |
25.11 |
| 21.05 |
|
28
|
Q |
22.89 |
| 21.05 |
|
29
|
D |
52.06 |
| 49.74 |
|
30
|
T |
27.50 |
| 30.0 |
|
31
|
S |
68.00 |
| 68.15 |
|
32
|
S |
173.80 |
| 173.7 |
|
|
Type: 13C
|
|
Atom |
Mult.(coupling const.) |
Prediction
Shift |
| Prediction 0
acd_lotusv7 |
|
1
|
Q |
14.45 |
| 13.92 |
|
2
|
D |
44.30 |
| 39.9 |
|
3
|
T |
31.10 |
| 30.2 |
|
4
|
T |
49.91 |
| 52.8 |
|
6
|
T |
49.81 |
| 57.88 |
|
7
|
S |
68.40 |
| 61.7 |
|
8
|
T |
48.20 |
| 39.6 |
|
9
|
S |
51.56 |
| 60.9 |
|
10
|
S |
177.80 |
| 182.11 |
|
13
|
S |
141.69 |
| 142.8 |
|
14
|
S |
133.34 |
| 121.7 |
|
15
|
D |
118.20 |
| 132.3 |
|
16
|
D |
112.05 |
| 109.6 |
|
17
|
S |
156.07 |
| 159.2 |
|
18
|
S |
110.58 |
| 105.0 |
|
19
|
S |
195.93 |
| 193.7 |
|
21
|
T |
49.49 |
| 48.8 |
|
22
|
S |
80.97 |
| 79.5 |
|
23
|
Q |
26.61 |
| 29.63 |
|
24
|
Q |
26.61 |
| 26.35 |
|
26
|
S |
46.70 |
| 46.4 |
|
27
|
Q |
21.05 |
| 25.11 |
|
28
|
Q |
21.05 |
| 22.89 |
|
29
|
D |
49.74 |
| 52.06 |
|
30
|
T |
30.00 |
| 27.5 |
|
31
|
S |
68.15 |
| 68.0 |
|
32
|
S |
173.70 |
| 173.8 |
|
|
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