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Details
This molecule with other stereoconfigurations:
Spectral Data
Additional Data
Download
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
paper2013
1
D
69.9
69.1
2
D
35.8
36.8
3
D
71.0
74.7
4
T
40.1
40.1
5
S
122.4
123.9
6
D
132.1
132.6
7
S
138.0
144.7
8
S
169.5
169.7
9
S
119.6
123.8
10
D
117.3
114.7
11
S
131.3
135.5
12
S
155.6
158.0
13
Q
17.0
15.7
14
D
128.5
129.5
15
Q
15.3
18.4
16
D
69.0
69.4
17
D
126.7
127.6
18
T
36.6
37.9
19
T
41.3
40.7
20
D
138.3
136.6
21
D
68.2
70.5
22
D
41.5
41.9
23
T
34.8
35.2
24
D
83.4
79.4
25
Q
17.4
19.3
26
D
121.4
118.3
27
S
138.5
139.1
28
Q
13.7
15.4
29
S
98.8
100.4
30
Q
13.8
13.5
31
D
35.2
36.3
32
Q
12.4
13.0
33
T
27.3
27.8
34
Q
11.6
12.4
Spectral Data
Additional Data
Download
Type: 13C 100
Atom
Mult.(coupling const.)
Meas.
Shift
Prediction 0
1
D
69.1
69.9
2
D
36.8
35.8
3
D
74.7
71.0
4
T
40.1
40.1
5
S
123.9
122.4
6
D
132.6
132.1
7
S
144.7
138.0
8
S
169.7
169.5
9
S
123.8
119.6
10
D
114.7
117.3
11
S
135.5
131.3
12
S
158.0
155.6
13
Q
15.7
17.0
14
D
129.5
128.5
15
Q
18.4
15.3
16
D
69.4
69.0
17
D
127.6
126.7
18
T
37.9
36.6
19
T
40.7
41.3
20
D
136.6
138.3
21
D
70.5
68.2
22
D
41.9
41.5
23
T
35.2
34.8
24
D
79.4
83.4
25
Q
19.3
17.4
26
D
118.3
121.4
27
S
139.1
138.5
28
Q
15.4
13.7
29
S
100.4
98.8
30
Q
13.5
13.8
31
D
36.3
35.2
32
Q
13.0
12.4
33
T
27.8
27.3
34
Q
12.4
11.6
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