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Details
Spectral Data
Additional Data
Download
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
hose_lotusv7
1
Q
14.91
14.75
2
D
44.65
41.8
3
D
60.12
63.07
4
D
80.93
81.33
5
T
31.71
32.7
6
D
54.90
56.32
7
D
36.00
34.74
8
T
38.96
41.0
9
D
77.76
79.9
11
D
102.51
103.42
13
D
78.60
77.41
14
T
61.92
62.57
16
D
71.23
72.07
18
D
78.44
78.08
20
D
80.09
78.67
22
D
107.35
106.6
24
T
67.43
66.4
25
D
70.78
69.5
27
D
77.85
75.9
29
D
75.81
74.4
31
D
51.33
51.74
32
T
33.47
33.3
33
D
70.59
71.58
35
T
32.04
31.14
36
T
37.02
38.4
37
S
37.09
37.99
38
Q
23.00
12.84
39
D
51.27
49.21
40
T
22.09
20.87
41
T
36.18
40.08
42
S
40.18
41.8
43
Q
16.69
17.0
45
S
109.38
109.25
46
T
30.02
31.65
47
T
27.79
29.05
48
D
30.38
30.45
49
Q
17.26
17.2
50
T
66.16
66.9
Spectral Data
Additional Data
Download
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
acd_lotusv7
1
Q
14.75
14.91
2
D
41.80
44.65
3
D
63.07
60.12
4
D
81.33
80.93
5
T
32.70
31.71
6
D
56.32
54.9
7
D
34.74
36.0
8
T
41.00
38.96
9
D
79.90
77.76
11
D
103.42
102.51
13
D
77.41
78.6
14
T
62.57
61.92
16
D
72.07
71.23
18
D
78.08
78.44
20
D
78.67
80.09
22
D
106.60
107.35
24
T
66.40
67.43
25
D
69.50
70.78
27
D
75.90
77.85
29
D
74.40
75.81
31
D
51.74
51.33
32
T
33.30
33.47
33
D
71.58
70.59
35
T
31.14
32.04
36
T
38.40
37.02
37
S
37.99
37.09
38
Q
12.84
23.0
39
D
49.21
51.27
40
T
20.87
22.09
41
T
40.08
36.18
42
D
41.80
40.18
43
Q
17.00
16.69
45
S
109.25
109.38
46
T
31.65
30.02
47
T
29.05
27.79
48
D
30.45
30.38
49
Q
17.20
17.26
50
T
66.90
66.16
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