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Details
Spectral Data
Additional Data
Download
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
hose_lotusv7
1
Q
21.30
21.21
2
S
171.10
170.79
5
D
80.70
80.55
6
T
24.40
25.5
7
T
36.50
35.7
8
S
37.90
38.32
9
Q
24.01
23.69
10
S
146.74
147.07
11
D
110.90
113.0
12
S
150.90
150.94
14
S
131.80
128.61
15
D
26.80
27.1
16
Q
22.60
23.06
17
Q
22.60
23.06
18
D
126.60
126.1
19
S
126.80
129.0
20
T
29.90
29.94
21
T
18.90
19.07
22
D
49.80
48.76
23
S
37.47
40.5
24
Q
24.01
20.1
25
Q
22.34
20.1
Spectral Data
Additional Data
Download
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
acd_lotusv7
1
Q
21.21
21.3
2
S
170.79
171.1
5
D
80.55
80.7
6
T
25.50
24.4
7
T
35.70
36.5
8
S
38.32
37.9
9
Q
23.69
24.01
10
S
147.07
146.74
11
D
113.00
110.9
12
S
150.94
150.9
14
S
128.61
131.8
15
D
27.10
26.8
16
Q
23.06
22.6
17
Q
23.06
22.6
18
D
126.10
126.6
19
S
129.00
126.8
20
T
29.94
29.9
21
T
19.07
18.9
22
D
48.76
49.8
23
S
40.50
37.47
24
Q
20.10
24.01
25
Q
20.10
22.34
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