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Details
Spectral Data
Additional Data
Download
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
hose_lotusv7
1
Q
19.93
18.26
2
S
131.00
132.43
3
Q
19.85
25.68
4
D
123.22
123.87
5
T
22.56
23.3
6
S
119.40
115.4
7
S
156.78
156.63
9
D
107.45
107.4
10
S
136.97
127.2
11
S
203.03
200.5
13
D
48.85
46.9
14
D
34.79
32.26
15
S
116.06
108.62
16
S
163.60
151.1
18
D
109.70
114.15
19
D
129.20
129.85
20
S
113.13
114.44
21
S
193.30
192.85
23
D
117.50
123.6
24
D
140.90
141.8
25
S
114.55
119.67
26
D
130.80
128.94
27
D
109.20
108.23
28
S
162.00
159.0
30
D
103.60
103.19
31
S
159.90
157.18
33
S
165.95
159.68
35
D
122.48
123.1
36
S
133.45
135.0
37
Q
23.54
23.7
38
T
32.58
32.5
39
D
40.94
32.1
40
S
121.80
120.8
41
D
131.03
134.8
42
D
107.27
108.0
43
S
157.38
157.8
45
D
103.29
103.2
46
S
156.23
156.0
48
D
107.45
107.4
49
S
156.78
156.63
Spectral Data
Additional Data
Download
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
acd_lotusv7
1
Q
18.26
19.93
2
S
132.43
131.0
3
Q
25.68
19.85
4
D
123.87
123.22
5
T
23.30
22.56
6
S
115.40
119.4
7
S
156.63
156.78
9
D
107.40
107.45
10
S
127.20
136.97
11
S
200.50
203.03
13
D
46.90
48.85
14
D
32.26
34.79
15
S
108.62
116.06
16
S
151.10
163.6
18
D
114.15
109.7
19
D
129.85
129.2
20
S
114.44
113.13
21
S
192.85
193.3
23
D
123.60
117.5
24
D
141.80
140.9
25
S
119.67
114.55
26
D
128.94
130.8
27
D
108.23
109.2
28
S
159.00
162.0
30
D
103.19
103.6
31
S
157.18
159.9
33
S
159.68
165.95
35
D
123.10
122.48
36
S
135.00
133.45
37
Q
23.70
23.54
38
T
32.50
32.58
39
D
32.10
40.94
40
S
120.80
121.8
41
D
134.80
131.03
42
D
108.00
107.27
43
S
157.80
157.38
45
D
103.20
103.29
46
S
156.00
156.23
48
D
107.40
107.45
49
S
156.63
156.78
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