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Details
Spectral Data
Additional Data
Download
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
hose_lotusv7
1
T
110.65
110.05
2
S
145.24
145.45
3
Q
22.31
22.7
4
T
38.43
37.0
5
T
23.50
22.3
6
T
38.93
43.11
7
S
75.90
75.67
8
Q
25.30
26.21
10
D
52.66
49.93
11
T
27.57
27.43
12
T
37.58
31.15
13
S
47.79
50.3
14
Q
18.33
16.45
15
D
42.49
42.17
16
T
26.22
24.85
17
T
23.67
21.39
18
D
50.09
49.69
19
S
35.67
36.9
20
Q
16.30
15.85
21
T
34.48
39.64
22
T
34.51
34.14
23
S
218.30
217.79
25
S
48.43
47.4
26
Q
26.98
23.85
27
Q
24.99
23.85
28
D
55.40
55.0
29
T
19.70
19.64
30
T
36.03
33.11
31
S
39.49
40.36
32
Q
16.04
15.4
Spectral Data
Additional Data
Download
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
acd_lotusv7
1
T
110.05
110.65
2
S
145.45
145.24
3
Q
22.70
22.31
4
T
37.00
38.43
5
T
22.30
23.5
6
T
43.11
38.93
7
S
75.67
75.9
8
Q
26.21
25.3
10
D
49.93
52.66
11
T
27.43
27.57
12
T
31.15
37.58
13
S
50.30
47.79
14
Q
16.45
18.33
15
D
42.17
42.49
16
T
24.85
26.22
17
T
21.39
23.67
18
D
49.69
50.09
19
S
36.90
35.67
20
Q
15.85
16.3
21
T
39.64
34.48
22
T
34.14
34.51
23
S
217.79
218.3
25
S
47.40
48.43
26
Q
23.85
26.98
27
Q
23.85
24.99
28
D
55.00
55.4
29
T
19.64
19.7
30
T
33.11
36.03
31
S
40.36
39.49
32
Q
15.40
16.04
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