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Details
Spectral Data
Additional Data
Download
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
hose_lotusv7
1
Q
14.23
13.97
2
T
22.80
22.15
3
T
32.00
32.04
4
T
29.50
28.72
5
T
29.75
29.58
6
T
29.43
29.66
7
T
28.82
30.18
8
T
25.20
25.57
9
T
36.95
36.72
10
D
67.45
67.6
12
T
43.44
40.9
13
S
171.40
173.4
16
D
49.90
50.8
17
T
36.90
36.3
18
S
172.00
170.6
21
S
171.40
172.18
24
D
57.00
57.01
25
S
170.40
170.55
28
D
56.80
53.76
29
D
201.90
200.5
31
T
36.40
40.79
32
D
23.80
24.56
33
Q
21.40
22.36
34
Q
21.40
22.36
35
D
67.50
74.4
37
T
40.00
40.7
38
S
172.40
172.66
Spectral Data
Additional Data
Download
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
acd_lotusv7
1
Q
13.97
14.23
2
T
22.15
22.8
3
T
32.04
32.0
4
T
28.72
29.5
5
T
29.58
29.75
6
T
29.66
29.43
7
T
30.18
28.82
8
T
25.57
25.2
9
T
36.72
36.95
10
D
67.60
67.45
12
T
40.90
43.44
13
S
173.40
171.4
16
D
50.80
49.9
17
T
36.30
36.9
18
S
170.60
172.0
21
S
172.18
171.4
24
D
57.01
57.0
25
S
170.55
170.4
28
D
53.76
56.8
29
D
200.50
201.9
31
T
40.79
36.4
32
D
24.56
23.8
33
Q
22.36
21.4
34
Q
22.36
21.4
35
D
74.40
67.5
37
T
40.70
40.0
38
S
172.66
172.4
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