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Details
Spectral Data
Additional Data
Download
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
hose_lotusv7
1
Q
11.48
11.9
2
T
26.84
26.84
3
D
41.10
40.95
4
Q
16.32
16.24
5
S
175.20
175.88
8
D
66.70
62.0
9
T
31.00
29.5
10
T
21.10
21.06
11
D
47.60
48.29
12
S
40.59
44.6
13
Q
13.30
13.7
14
D
82.90
84.06
15
T
34.02
35.18
16
D
40.10
40.3
17
T
37.53
38.13
18
D
104.40
104.23
20
Q
54.10
55.3
22
D
106.80
105.72
24
D
35.40
36.94
25
Q
15.80
16.12
26
T
33.20
31.99
27
D
71.40
72.16
29
S
168.83
169.98
30
Q
20.40
21.1
32
S
46.30
48.62
33
T
61.50
62.69
35
S
170.31
170.34
36
Q
20.40
21.12
38
S
65.30
60.0
39
T
44.38
49.7
Spectral Data
Additional Data
Download
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
acd_lotusv7
1
Q
11.90
11.48
2
T
26.84
26.84
3
D
40.95
41.1
4
Q
16.24
16.32
5
S
175.88
175.2
8
D
62.00
66.7
9
T
29.50
31.0
10
T
21.06
21.1
11
D
48.29
47.6
12
S
44.60
40.59
13
Q
13.70
13.3
14
D
84.06
82.9
15
T
35.18
34.02
16
D
40.30
40.1
17
T
38.13
37.53
18
D
104.23
104.4
20
Q
55.30
54.1
22
D
105.72
106.8
24
D
36.94
35.4
25
Q
16.12
15.8
26
T
31.99
33.2
27
D
72.16
71.4
29
S
169.98
168.83
30
Q
21.10
20.4
32
S
48.62
46.3
33
T
62.69
61.5
35
S
170.34
170.31
36
Q
21.12
20.4
38
S
60.00
65.3
39
T
49.70
44.38
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