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Details
Spectral Data
Additional Data
Download
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
hose_lotusv7
1
Q
18.02
18.52
2
D
68.96
70.5
4
D
100.88
102.2
6
D
80.94
80.5
7
D
100.85
100.8
9
S
146.06
144.4
10
D
136.57
136.8
11
S
113.57
113.3
12
S
159.06
159.2
14
D
103.39
103.3
15
S
170.33
169.6
17
D
95.00
94.95
18
S
157.60
156.95
20
S
164.85
163.3
21
S
120.05
125.41
22
D
112.59
117.75
23
S
147.56
146.37
25
S
144.73
137.85
27
S
147.56
146.37
29
D
112.59
117.75
31
D
78.70
77.7
32
T
61.37
62.24
34
D
70.53
71.32
36
D
79.87
76.9
38
D
71.08
70.73
40
D
71.14
70.73
42
D
72.62
73.8
Spectral Data
Additional Data
Download
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
acd_lotusv7
1
Q
18.52
18.02
2
D
70.50
68.96
4
D
102.20
100.88
6
D
80.50
80.94
7
D
100.80
100.85
9
S
144.40
146.06
10
D
136.80
136.57
11
S
113.30
113.57
12
S
159.20
159.06
14
D
103.30
103.39
15
S
169.60
170.33
17
D
94.95
95.0
18
S
156.95
157.6
20
S
163.30
164.85
21
S
125.41
120.05
22
D
117.75
112.59
23
S
146.37
147.56
25
S
137.85
144.73
27
S
146.37
147.56
29
D
117.75
112.59
31
D
77.70
78.7
32
T
62.24
61.37
34
D
71.32
70.53
36
D
76.90
79.87
38
D
70.73
71.08
40
D
70.73
71.14
42
D
73.80
72.62
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