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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
Q
14.20
13.97
2
T
22.79
22.15
3
T
31.91
32.04
4
T
29.35
28.72
5
T
29.35
29.4
6
T
29.26
29.6
7
T
29.09
29.8
8
T
25.08
30.1
9
T
34.31
35.03
10
S
172.66
173.5
13
D
71.20
68.2
14
S
132.03
136.62
15
D
122.43
127.98
16
S
134.65
129.1
17
Q
17.10
16.57
18
S
149.16
156.5
20
S
149.06
147.9
22
Q
61.50
61.9
23
S
119.97
115.87
24
S
180.01
188.8
26
S
117.62
115.87
27
S
132.20
136.87
28
D
108.46
117.4
29
S
151.35
146.37
31
S
134.66
131.53
33
S
149.42
145.22
35
Q
61.55
61.0
Spectral Data
Additional Data
Download
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
acd_lotusv7
1
Q
13.97
14.2
2
T
22.15
22.79
3
T
32.04
31.91
4
T
28.72
29.35
5
T
29.40
29.35
6
T
29.60
29.26
7
T
29.80
29.09
8
T
30.10
25.08
9
T
35.03
34.31
10
S
173.50
172.66
13
D
68.20
71.2
14
S
136.62
132.03
15
D
127.98
122.43
16
S
129.10
134.65
17
Q
16.57
17.1
18
S
156.50
149.16
20
S
147.90
149.06
22
Q
61.90
61.5
23
S
115.87
119.97
24
S
188.80
180.01
26
S
115.87
117.62
27
S
136.87
132.2
28
D
117.40
108.46
29
S
146.37
151.35
31
S
131.53
134.66
33
S
145.22
149.42
35
Q
61.00
61.55
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