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Details
This molecule without stereoconfiguration:
This molecule with other stereoconfigurations:
Spectral Data
Additional Data
Download
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
hose_lotusv7
1
Q
55.80
56.0
3
S
148.70
150.0
4
D
111.10
111.59
5
D
123.70
121.5
6
S
137.80
127.97
7
D
117.00
132.4
8
S
146.70
147.0
10
S
152.90
155.6
11
D
121.38
116.7
12
D
129.68
124.1
13
S
130.28
132.34
14
D
129.68
124.1
15
D
121.38
116.7
16
T
37.88
39.3
17
D
60.59
58.5
18
S
122.60
129.11
19
S
127.61
124.1
20
D
105.83
110.48
21
S
151.11
153.49
23
Q
55.67
56.23
24
S
136.54
139.9
26
Q
60.22
61.18
27
S
147.27
145.36
29
S
143.35
147.0
30
D
119.65
111.9
31
S
126.81
129.88
32
S
130.73
126.03
33
D
111.05
112.5
34
S
149.80
146.35
36
Q
55.60
55.45
37
T
28.43
25.52
38
T
44.90
46.63
40
Q
42.77
42.27
41
D
64.20
65.5
42
T
38.20
40.4
43
T
22.67
23.3
44
T
44.76
43.1
46
Q
42.46
41.9
Spectral Data
Additional Data
Download
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
acd_lotusv7
1
Q
56.00
55.8
3
S
150.00
148.7
4
D
111.59
111.1
5
D
121.50
123.7
6
S
127.97
137.8
7
D
132.40
117.0
8
S
147.00
146.7
10
S
155.60
152.9
11
D
116.70
121.38
12
D
124.10
129.68
13
S
132.34
130.28
14
D
124.10
129.68
15
D
116.70
121.38
16
T
39.30
37.88
17
D
58.50
60.59
18
S
129.11
122.6
19
D
124.10
127.61
20
D
110.48
105.83
21
S
153.49
151.11
23
Q
56.23
55.67
24
S
139.90
136.54
26
Q
61.18
60.22
27
S
145.36
147.27
29
S
147.00
143.35
30
D
111.90
119.65
31
S
129.88
126.81
32
S
126.03
130.73
33
D
112.50
111.05
34
S
146.35
149.8
36
Q
55.45
55.6
37
T
25.52
28.43
38
T
46.63
44.9
40
Q
42.27
42.77
41
D
65.50
64.2
42
T
40.40
38.2
43
T
23.30
22.67
44
T
43.10
44.76
46
Q
41.90
42.46
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