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Details
This molecule with other stereoconfigurations:
Spectral Data
Additional Data
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Type: 1H Unreported
Atom
Mult.(coupling const.)
Meas.
Shift
40-H
5.20
37-H
6.28
35-H
34-H
1.68
32-H
31-H
1.32
30-H
3.50
28-H
1.43
27-H
25-H
6.36
24-H
20-H
5.12
18-H
17-H
16-H
15-H
13-H
12-H
3.79
9-H
7-H
6-H
5-H
3-H
5.02 (H 43)
Spectral Data
Additional Data
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Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
hose_lotusv7
40
T
72.10
72.17
38
S
174.50
174.09
37
D
114.50
116.2
36
S
160.20
141.74
34
Q
17.60
21.79
31
Q
21.40
21.13
30
Q
57.90
60.2
28
Q
21.40
21.65
26
S
137.50
155.52
25
D
136.00
129.74
24
T
43.60
37.62
23
S
82.40
85.6
22
S
67.30
48.43
21
S
213.00
213.9
20
D
73.55
74.55
18
D
68.40
70.82
17
T
35.20
35.41
16
D
82.90
73.03
15
D
122.00
129.85
14
S
140.00
147.38
13
T
30.15
37.24
12
D
56.90
56.05
10
S
63.50
70.41
9
D
49.57
51.05
8
S
40.94
39.81
7
T
40.34
41.0
6
D
66.90
76.65
5
D
70.50
72.23
3
D
97.50
103.3
2
S
93.00
97.76
Spectral Data
Additional Data
Download
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
acd_lotusv7
40
T
72.17
72.1
38
S
174.09
174.5
37
D
116.20
114.5
36
S
141.74
160.2
34
Q
21.79
17.6
31
Q
21.13
21.4
30
Q
60.20
57.9
28
Q
21.65
21.4
26
S
155.52
137.5
25
D
129.74
136.0
24
T
37.62
43.6
23
S
85.60
82.4
22
S
48.43
67.3
21
S
213.90
213.0
20
D
74.55
73.55
18
D
70.82
68.4
17
T
35.41
35.2
16
D
73.03
82.9
15
D
129.85
122.0
14
S
147.38
140.0
13
T
37.24
30.15
12
D
56.05
56.9
10
S
70.41
63.5
9
D
51.05
49.57
8
S
39.81
40.94
7
T
41.00
40.34
6
D
76.65
66.9
5
D
72.23
70.5
3
D
103.30
97.5
2
S
97.76
93.0
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