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Details
This molecule with other stereoconfigurations:
General
acd_lotusv7/
hose_lotusv7/
Spectral Data
Additional Data
Download
Type: 13C Unreported
Atom
Mult.(coupling const.)
Meas.
Shift
Prediction 0
acd_lotusv7
Prediction 1
acd_lotusv7
Prediction 2
acd_lotusv7
Prediction 3
hose_lotusv7
Prediction 4
hose_lotusv7
Prediction 5
hose_lotusv7
1
S
32.9
34.02
34.02
34.02
33.83
33.83
33.83
2
T
38.4
39.45
39.45
39.45
39.23
39.23
39.23
3
T
17.9
18.95
18.95
18.95
18.55
18.55
18.55
4
T
31.6
32.97
32.97
32.97
32.67
32.67
32.67
5
S
128.6
129.74
129.74
129.74
130.22
130.22
130.22
6
S
136.5
137.47
137.47
137.47
137.43
137.43
137.43
7
Q
27.3
28.67
28.67
28.67
28.62
28.62
28.62
8
Q
27.3
28.67
28.67
28.67
28.62
28.62
28.62
9
Q
20.0
21.16
21.16
21.16
21.27
21.27
21.27
10
D
127.9
128.95
128.95
128.95
127.5
127.5
127.5
11
D
136.3
137.25
137.25
137.25
137.2
137.2
137.2
12
S
139.4
140.69
140.69
140.69
137.77
137.77
137.77
13
D
128.7
129.8
129.8
129.8
128.7
128.7
128.7
14
Q
11.0
12.3
12.3
12.3
12.17
12.17
12.17
15
D
131.1
132.18
132.18
132.18
131.1
131.1
131.1
16
D
133.8
134.95
134.95
134.95
133.8
133.8
133.8
17
S
153.0
154.06
154.06
154.06
153.0
153.0
153.0
18
Q
11.0
12.74
12.74
12.74
11.0
11.0
11.0
19
D
127.8
129.33
129.33
129.33
127.8
127.8
127.8
20
D
189.1
190.28
190.28
190.28
189.1
189.1
189.1
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