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Details
This molecule with other stereoconfigurations:
Spectral Data
Additional Data
Download
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
hose_lotusv7
1
T
121.65
122.3
2
S
141.11
139.73
3
S
170.01
170.19
6
D
81.36
80.5
7
T
35.74
35.18
8
D
28.77
30.7
9
Q
21.04
18.7
10
D
51.66
49.2
11
D
38.15
52.81
12
T
40.56
41.12
13
S
213.79
217.18
15
S
60.12
56.95
16
T
32.58
42.4
17
D
41.18
44.98
18
T
48.13
50.2
19
S
52.32
56.72
20
S
179.15
177.01
23
D
75.36
83.14
24
T
35.46
35.18
25
D
32.15
34.68
26
Q
17.74
18.7
27
D
51.73
47.74
28
D
167.63
135.48
29
D
133.88
133.64
30
S
209.31
210.35
32
D
46.94
49.27
33
T
25.33
32.78
34
D
45.56
51.06
Spectral Data
Additional Data
Download
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
acd_lotusv7
1
T
122.30
121.65
2
S
139.73
141.11
3
S
170.19
170.01
6
D
80.50
81.36
7
T
35.18
35.74
8
D
30.70
28.77
9
Q
18.70
21.04
10
D
49.20
51.66
11
D
52.81
38.15
12
T
41.12
40.56
13
S
217.18
213.79
15
S
56.95
60.12
16
T
42.40
32.58
17
D
44.98
41.18
18
T
50.20
48.13
19
S
56.72
52.32
20
S
177.01
179.15
23
D
83.14
75.36
24
T
35.18
35.46
25
D
34.68
32.15
26
Q
18.70
17.74
27
D
47.74
51.73
28
D
135.48
167.63
29
D
133.64
133.88
30
S
210.35
209.31
32
D
49.27
46.94
33
T
32.78
25.33
34
D
51.06
45.56
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