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Details
This molecule without stereoconfiguration:
This molecule with other stereoconfigurations:
General
ocmainz inhouse-2
Spectral Data
Additional Data
Download
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
ocmainz inhouse-2
expt-1
ocmainz inhouse-2
Prediction 2
hose_lotusv7
1
D
102.19
106.5
106.5
2
D
73.28
75.9
75.0
3
D
75.81
78.9
78.14
4
D
69.40
71.4
69.69
5
D
75.60
78.2
79.0
6
S
131.60
131.6
133.6
132.6
7
S
143.70
143.7
146.1
144.9
8
S
145.40
145.4
147.9
146.65
9
D
104.50
105.1
106.6
105.85
10
S
110.20
110.2
112.7
111.45
11
D
144.70
144.7
146.9
145.8
12
D
112.20
112.2
113.5
112.9
13
S
160.20
160.2
163.9
162.05
14
S
142.70
142.7
144.7
143.7
15
T
60.40
62.7
61.08
16
Q
56.10
56.1
57.4
56.33
Spectral Data
Additional Data
Download
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
ocmainz inhouse-2
expt-1
ocmainz inhouse-2
Prediction 2
acd_lotusv7
1
D
106.50
106.5
102.19
2
D
75.00
75.9
73.28
3
D
78.14
78.9
75.81
4
D
69.69
71.4
69.4
5
D
79.00
78.2
75.6
6
S
132.60
131.6
133.6
131.6
7
S
144.90
143.7
146.1
143.7
8
S
146.65
145.4
147.9
145.4
9
D
105.85
105.1
106.6
104.5
10
S
111.45
110.2
112.7
110.2
11
D
145.80
144.7
146.9
144.7
12
D
112.90
112.2
113.5
112.2
13
S
162.05
160.2
163.9
160.2
14
S
143.70
142.7
144.7
142.7
15
T
61.08
62.7
60.4
16
Q
56.33
56.1
57.4
56.1
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