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Details
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Type: 13C
|
|
Atom |
Mult.(coupling const.) |
Prediction Shift |
| Prediction 0 hose_lotusv7 |
1
|
Q |
13.46 |
| 13.9 |
2
|
D |
124.71 |
| 125.5 |
3
|
S |
130.46 |
| 130.5 |
4
|
D |
95.01 |
| 100.2 |
6
|
D |
100.76 |
| 99.2 |
8
|
D |
77.81 |
| 77.1 |
9
|
T |
62.71 |
| 62.59 |
11
|
D |
71.31 |
| 69.67 |
13
|
D |
78.21 |
| 76.5 |
15
|
D |
74.61 |
| 73.25 |
18
|
D |
155.05 |
| 155.6 |
19
|
S |
109.34 |
| 109.7 |
20
|
S |
168.56 |
| 168.5 |
23
|
Q |
52.01 |
| 52.25 |
24
|
D |
32.00 |
| 32.6 |
25
|
T |
40.06 |
| 40.4 |
26
|
S |
173.05 |
| 172.7 |
29
|
T |
66.84 |
| 63.5 |
30
|
D |
73.51 |
| 70.83 |
32
|
D |
104.70 |
| 104.55 |
34
|
T |
72.90 |
| 72.2 |
35
|
T |
37.00 |
| 36.5 |
36
|
S |
131.80 |
| 131.6 |
37
|
D |
121.60 |
| 121.3 |
38
|
D |
116.70 |
| 115.4 |
39
|
S |
145.10 |
| 145.0 |
41
|
S |
146.60 |
| 143.7 |
43
|
D |
117.50 |
| 116.5 |
44
|
D |
76.50 |
| 75.9 |
46
|
D |
81.84 |
| 80.3 |
48
|
D |
103.50 |
| 103.5 |
50
|
D |
70.90 |
| 70.0 |
51
|
Q |
18.80 |
| 18.52 |
52
|
D |
74.20 |
| 71.98 |
54
|
D |
72.50 |
| 72.41 |
56
|
D |
72.70 |
| 74.17 |
58
|
D |
71.88 |
| 68.54 |
60
|
S |
168.40 |
| 168.3 |
62
|
D |
115.00 |
| 114.9 |
63
|
D |
147.20 |
| 147.9 |
|
|
Atom |
Mult.(coupling const.) |
Prediction Shift |
| Prediction 0 hose_lotusv7 |
64
|
S |
128.10 |
| 127.63 |
65
|
D |
123.60 |
| 121.95 |
66
|
D |
116.90 |
| 116.28 |
67
|
S |
150.20 |
| 149.0 |
69
|
S |
148.50 |
| 145.74 |
71
|
D |
115.70 |
| 114.95 |
|
|
Type: 13C
|
|
Atom |
Mult.(coupling const.) |
Prediction Shift |
| Prediction 0 acd_lotusv7 |
1
|
Q |
13.90 |
| 13.46 |
2
|
D |
125.50 |
| 124.71 |
3
|
S |
130.50 |
| 130.46 |
4
|
D |
100.20 |
| 95.01 |
6
|
D |
99.20 |
| 100.76 |
8
|
D |
77.10 |
| 77.81 |
9
|
T |
62.59 |
| 62.71 |
11
|
D |
69.67 |
| 71.31 |
13
|
D |
76.50 |
| 78.21 |
15
|
D |
73.25 |
| 74.61 |
18
|
D |
155.60 |
| 155.05 |
19
|
S |
109.70 |
| 109.34 |
20
|
S |
168.50 |
| 168.56 |
23
|
Q |
52.25 |
| 52.01 |
24
|
D |
32.60 |
| 32.0 |
25
|
T |
40.40 |
| 40.06 |
26
|
S |
172.70 |
| 173.05 |
29
|
T |
63.50 |
| 66.84 |
30
|
D |
70.83 |
| 73.51 |
32
|
D |
104.55 |
| 104.7 |
34
|
T |
72.20 |
| 72.9 |
35
|
T |
36.50 |
| 37.0 |
36
|
S |
131.60 |
| 131.8 |
37
|
D |
121.30 |
| 121.6 |
38
|
D |
115.40 |
| 116.7 |
39
|
S |
145.00 |
| 145.1 |
41
|
S |
143.70 |
| 146.6 |
43
|
D |
116.50 |
| 117.5 |
44
|
D |
75.90 |
| 76.5 |
46
|
D |
80.30 |
| 81.84 |
48
|
D |
103.50 |
| 103.5 |
50
|
D |
70.00 |
| 70.9 |
51
|
Q |
18.52 |
| 18.8 |
52
|
D |
71.98 |
| 74.2 |
54
|
D |
72.41 |
| 72.5 |
56
|
D |
74.17 |
| 72.7 |
58
|
D |
68.54 |
| 71.88 |
60
|
S |
168.30 |
| 168.4 |
62
|
D |
114.90 |
| 115.0 |
63
|
D |
147.90 |
| 147.2 |
|
|
Atom |
Mult.(coupling const.) |
Prediction Shift |
| Prediction 0 acd_lotusv7 |
64
|
S |
127.63 |
| 128.1 |
65
|
D |
121.95 |
| 123.6 |
66
|
D |
116.28 |
| 116.9 |
67
|
S |
149.00 |
| 150.2 |
69
|
S |
145.74 |
| 148.5 |
71
|
D |
114.95 |
| 115.7 |
|
|
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