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Details
This molecule without stereoconfiguration:
Spectral Data
Additional Data
Download
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
hose_lotusv7
1
Q
21.30
21.3
2
S
168.90
168.9
5
T
44.52
44.2
6
T
48.57
49.5
8
S
145.65
145.6
9
D
118.75
115.2
10
D
115.20
118.8
11
S
152.80
152.8
13
T
67.55
67.6
14
D
74.70
74.7
15
T
67.60
67.2
17
S
108.00
108.0
18
T
51.20
51.2
20
D
121.10
121.2
21
D
128.40
128.5
23
D
138.70
138.8
24
S
134.60
134.6
25
D
128.70
129.5
26
D
127.54
127.2
27
S
135.30
135.8
29
D
131.22
131.3
30
S
132.95
133.0
33
D
115.20
118.8
34
D
118.75
115.2
35
T
48.57
49.5
36
T
43.95
44.2
Spectral Data
Additional Data
Download
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
acd_lotusv7
1
Q
21.3
21.3
2
S
168.9
168.9
5
T
44.2
44.52
6
T
49.5
48.57
8
S
145.6
145.65
9
D
115.2
118.75
10
D
118.8
115.2
11
S
152.8
152.8
13
T
67.6
67.55
14
D
74.7
74.7
15
T
67.2
67.6
17
S
108.0
108.0
18
T
51.2
51.2
20
D
121.2
121.1
21
D
128.5
128.4
23
D
138.8
138.7
24
S
134.6
134.6
25
D
129.5
128.7
26
D
127.2
127.54
27
S
135.8
135.3
29
D
131.3
131.22
30
S
133.0
132.95
33
D
118.8
115.2
34
D
115.2
118.75
35
T
49.5
48.57
36
T
44.2
43.95
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