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Details
Spectral Data
Additional Data
Download
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
hose_lotusv7
1
Q
14.19
13.97
2
T
22.35
22.15
3
T
31.26
32.04
4
T
29.34
28.72
5
T
29.00
29.04
6
T
29.00
29.07
7
T
29.36
29.42
8
T
29.61
29.62
9
T
29.38
29.7
10
T
29.25
29.78
11
T
29.77
29.53
12
T
26.00
25.11
13
T
34.90
34.35
14
S
175.40
170.9
17
T
66.30
65.88
18
D
69.90
70.78
20
T
67.80
67.2
26
T
60.40
65.0
27
T
67.50
66.0
29
Q
54.70
54.28
30
Q
54.70
54.28
31
Q
54.70
54.28
Spectral Data
Additional Data
Download
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
acd_lotusv7
1
Q
13.97
14.19
2
T
22.15
22.35
3
T
32.04
31.26
4
T
28.72
29.34
5
T
29.04
29.0
6
T
29.07
29.0
7
T
29.42
29.36
8
T
29.62
29.61
9
T
29.70
29.38
10
T
29.78
29.25
11
T
29.53
29.77
12
T
25.11
26.0
13
T
34.35
34.9
14
S
170.90
175.4
17
T
65.88
66.3
18
D
70.78
69.9
20
T
67.20
67.8
26
T
65.00
60.4
27
T
66.00
67.5
29
Q
54.28
54.7
30
Q
54.28
54.7
31
Q
54.28
54.7
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