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Details
Spectral Data
Additional Data
Download
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
hose_lotusv7
1
Q
59.90
60.8
3
D
74.70
78.32
4
D
78.00
75.38
6
S
172.80
170.09
7
Q
21.04
20.77
9
D
65.10
68.9
10
Q
17.00
18.17
12
D
92.93
101.32
14
D
74.55
76.92
15
T
27.09
29.5
16
T
32.02
37.59
17
S
34.53
37.22
18
Q
23.10
16.59
19
D
34.20
40.33
20
T
33.66
30.7
21
T
28.20
39.6
22
D
55.90
61.71
24
S
64.40
70.41
25
D
39.07
48.67
26
T
20.90
18.1
27
T
40.80
42.2
28
S
52.60
49.02
29
Q
17.30
18.23
30
D
51.62
51.1
31
S
175.00
176.57
32
D
117.70
117.74
33
S
174.30
175.64
36
T
73.60
74.43
37
T
28.70
28.98
38
T
35.20
33.9
39
S
81.70
85.6
41
D
73.30
70.48
43
S
170.27
170.28
44
Q
21.06
20.72
Spectral Data
Additional Data
Download
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
acd_lotusv7
1
Q
60.80
59.9
3
D
78.32
74.7
4
D
75.38
78.0
6
S
170.09
172.8
7
Q
20.77
21.04
9
D
68.90
65.1
10
Q
18.17
17.0
12
D
101.32
92.93
14
D
76.92
74.55
15
T
29.50
27.09
16
T
37.59
32.02
17
S
37.22
34.53
18
Q
16.59
23.1
19
D
40.33
34.2
20
T
30.70
33.66
21
T
39.60
28.2
22
D
61.71
55.9
24
S
70.41
64.4
25
D
48.67
39.07
26
T
18.10
20.9
27
T
42.20
40.8
28
S
49.02
52.6
29
Q
18.23
17.3
30
D
51.10
51.62
31
S
176.57
175.0
32
D
117.74
117.7
33
S
175.64
174.3
36
T
74.43
73.6
37
T
28.98
28.7
38
T
33.90
35.2
39
S
85.60
81.7
41
D
70.48
73.3
43
S
170.28
170.27
44
Q
20.72
21.06
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