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Details
Spectral Data
Additional Data
Download
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
hose_lotusv7
1
Q
14.33
15.7
2
D
138.43
137.83
3
S
129.55
127.25
4
Q
13.55
20.0
5
S
166.70
167.15
8
D
87.02
76.2
9
S
77.42
75.9
11
T
44.29
40.73
12
S
126.21
128.02
13
S
134.23
147.29
14
T
35.14
36.27
15
S
169.90
169.64
18
D
80.60
75.8
19
S
120.62
120.49
20
D
109.80
109.66
21
D
142.90
142.98
23
D
141.80
141.04
24
S
38.30
39.32
25
Q
19.62
25.3
26
T
29.04
36.11
27
T
18.01
20.8
28
D
52.30
49.1
29
S
52.78
50.95
30
Q
16.82
18.02
31
S
217.07
212.03
33
D
42.14
41.5
34
T
33.18
33.0
35
S
174.00
174.0
38
Q
52.20
52.1
39
S
39.13
38.04
40
Q
23.26
23.71
41
Q
21.94
23.71
Spectral Data
Additional Data
Download
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
acd_lotusv7
1
Q
15.70
14.33
2
D
137.83
138.43
3
S
127.25
129.55
4
Q
20.00
13.55
5
S
167.15
166.7
8
D
76.20
87.02
9
S
75.90
77.42
11
T
40.73
44.29
12
S
128.02
126.21
13
S
147.29
134.23
14
T
36.27
35.14
15
S
169.64
169.9
18
D
75.80
80.6
19
S
120.49
120.62
20
D
109.66
109.8
21
D
142.98
142.9
23
D
141.04
141.8
24
S
39.32
38.3
25
Q
25.30
19.62
26
T
36.11
29.04
27
T
20.80
18.01
28
D
49.10
52.3
29
S
50.95
52.78
30
Q
18.02
16.82
31
S
212.03
217.07
33
D
41.50
42.14
34
T
33.00
33.18
35
S
174.00
174.0
38
Q
52.10
52.2
39
S
38.04
39.13
40
Q
23.71
23.26
41
Q
23.71
21.94
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