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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
112.35
109.89
2
S
145.45
144.78
3
T
32.40
32.3
4
T
35.53
28.97
5
D
69.40
71.49
7
T
46.21
32.06
8
S
135.55
140.93
9
D
122.31
133.03
10
D
117.89
121.75
11
S
141.93
151.8
12
T
29.29
35.05
13
T
22.54
22.79
14
T
40.83
39.7
15
S
46.06
44.23
16
Q
12.15
11.94
17
D
56.87
49.53
18
T
23.84
24.7
19
T
28.00
26.26
20
D
56.82
49.5
21
D
36.49
36.42
22
Q
19.07
19.28
23
D
36.49
36.89
24
T
24.14
24.59
25
T
39.85
40.19
26
D
28.24
28.68
27
Q
22.99
22.46
28
Q
22.71
22.46
Spectral Data
Additional Data
Download
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
acd_lotusv7
1
T
109.89
112.35
2
S
144.78
145.45
3
T
32.30
32.4
4
T
28.97
35.53
5
D
71.49
69.4
7
T
32.06
46.21
8
S
140.93
135.55
9
D
133.03
122.31
10
D
121.75
117.89
11
S
151.80
141.93
12
T
35.05
29.29
13
T
22.79
22.54
14
T
39.70
40.83
15
S
44.23
46.06
16
Q
11.94
12.15
17
D
49.53
56.87
18
T
24.70
23.84
19
T
26.26
28.0
20
D
49.50
56.82
21
D
36.42
36.49
22
Q
19.28
19.07
23
T
36.89
36.49
24
T
24.59
24.14
25
T
40.19
39.85
26
D
28.68
28.24
27
Q
22.46
22.99
28
Q
22.46
22.71
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