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Details
Spectral Data
Additional Data
Download
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
hose_lotusv7
1
Q
55.50
55.41
3
S
158.24
158.8
4
D
110.35
115.17
5
D
129.35
127.97
6
S
126.48
131.6
7
S
139.92
138.2
8
D
112.93
113.3
9
T
30.95
29.23
10
T
27.37
26.6
11
S
134.51
137.23
12
S
119.20
120.89
13
S
119.20
120.89
14
S
147.90
147.08
16
S
140.50
137.57
18
Q
61.10
60.8
19
S
150.99
145.31
21
Q
60.30
60.33
22
S
120.63
120.89
23
S
134.51
137.23
24
T
27.37
26.6
25
T
30.95
29.23
26
S
139.92
138.2
27
D
112.93
113.3
28
S
158.24
158.8
30
Q
55.50
55.41
31
D
110.35
115.17
32
D
129.35
127.97
33
S
126.48
131.6
34
S
147.90
147.08
36
S
140.50
137.57
38
Q
61.10
60.8
39
S
150.99
145.31
41
Q
60.30
60.33
42
S
120.63
120.89
Spectral Data
Additional Data
Download
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
acd_lotusv7
1
Q
55.41
55.5
3
S
158.80
158.24
4
D
115.17
110.35
5
D
127.97
129.35
6
S
131.60
126.48
7
S
138.20
139.92
8
D
113.30
112.93
9
T
29.23
30.95
10
T
26.60
27.37
11
S
137.23
134.51
12
S
120.89
119.2
13
S
120.89
119.2
14
S
147.08
147.9
16
S
137.57
140.5
18
Q
60.80
61.1
19
S
145.31
150.99
21
Q
60.33
60.3
22
S
120.89
120.63
23
S
137.23
134.51
24
T
26.60
27.37
25
T
29.23
30.95
26
S
138.20
139.92
27
D
113.30
112.93
28
S
158.80
158.24
30
Q
55.41
55.5
31
D
115.17
110.35
32
D
127.97
129.35
33
S
131.60
126.48
34
S
147.08
147.9
36
S
137.57
140.5
38
Q
60.80
61.1
39
S
145.31
150.99
41
Q
60.33
60.3
42
S
120.89
120.63
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