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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
112.10
113.7
2
S
142.50
145.6
3
Q
21.80
19.6
4
D
36.80
37.2
5
T
31.90
29.38
6
S
129.60
135.43
7
D
112.00
110.48
8
S
149.33
145.55
10
T
65.20
66.42
11
D
118.80
123.66
12
S
141.00
135.13
13
Q
14.10
15.17
14
T
67.50
67.16
16
S
147.40
145.9
18
D
115.70
110.4
19
S
121.70
133.75
20
S
135.70
139.53
21
S
139.90
140.4
22
S
186.10
183.73
24
S
127.90
119.56
25
S
122.70
131.23
26
D
132.30
131.6
27
D
114.80
114.8
28
S
155.80
156.9
30
D
114.80
114.8
31
D
132.30
131.6
32
S
154.80
154.58
34
Q
61.20
60.56
35
S
183.50
180.12
Spectral Data
Additional Data
Download
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
acd_lotusv7
1
T
113.70
112.1
2
S
145.60
142.5
3
Q
19.60
21.8
4
D
37.20
36.8
5
T
29.38
31.9
6
S
135.43
129.6
7
D
110.48
112.0
8
S
145.55
149.33
10
T
66.42
65.2
11
D
123.66
118.8
12
S
135.13
141.0
13
Q
15.17
14.1
14
T
67.16
67.5
16
S
145.90
147.4
18
D
110.40
115.7
19
S
133.75
121.7
20
S
139.53
135.7
21
S
140.40
139.9
22
S
183.73
186.1
24
S
119.56
127.9
25
S
131.23
122.7
26
D
131.60
132.3
27
D
114.80
114.8
28
S
156.90
155.8
30
D
114.80
114.8
31
D
131.60
132.3
32
S
154.58
154.8
34
Q
60.56
61.2
35
S
180.12
183.5
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