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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
145.15
144.78
3
T
32.00
32.3
4
T
35.25
28.97
5
D
69.20
71.49
7
T
46.00
32.06
8
S
135.20
140.93
9
D
122.45
133.03
10
D
117.60
121.75
11
S
141.44
151.8
12
T
28.85
35.05
13
T
22.18
22.79
14
T
39.14
39.7
15
S
45.56
44.23
16
Q
16.70
11.94
17
D
56.37
49.53
18
T
23.41
24.7
19
T
27.80
28.27
20
D
56.60
56.14
21
D
40.30
40.62
22
Q
20.97
20.26
23
D
135.60
133.93
24
D
132.00
134.37
25
D
42.85
43.06
26
Q
17.63
17.66
27
D
33.10
33.36
28
Q
19.00
20.0
29
Q
21.00
20.0
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
145.15
3
T
32.30
32.0
4
T
28.97
35.25
5
D
71.49
69.2
7
T
32.06
46.0
8
S
140.93
135.2
9
D
133.03
122.45
10
D
121.75
117.6
11
S
151.80
141.44
12
T
35.05
28.85
13
T
22.79
22.18
14
T
39.70
39.14
15
S
44.23
45.56
16
Q
11.94
16.7
17
D
49.53
56.37
18
T
24.70
23.41
19
T
28.27
27.8
20
D
56.14
56.6
21
D
40.62
40.3
22
Q
20.26
20.97
23
D
133.93
135.6
24
D
134.37
132.0
25
D
43.06
42.85
26
Q
17.66
17.63
27
D
33.36
33.1
28
Q
20.00
19.0
29
Q
20.00
21.0
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