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Details
This molecule without stereoconfiguration:
This molecule with other stereoconfigurations:
Spectral Data
Additional Data
Download
Type: 13C Unreported
Atom
Mult.(coupling const.)
Meas.
Shift
Prediction 0
acd_lotusv7
Prediction 1
hose_lotusv7
1
Q
10.8
11.14
10.8
2
T
24.2
24.6
24.2
3
D
35.5
36.9
35.5
4
Q
14.2
15.0
15.01
5
D
58.6
59.5
58.6
6
S
173.1
176.5
173.1
Spectral Data
Additional Data
Download
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
ocmainz inhouse-2
Prediction 1
hose_lotusv7
1
Q
11.14
10.8
10.8
2
T
24.60
24.2
24.2
3
D
36.90
35.5
35.5
4
Q
15.00
14.2
15.01
5
D
59.50
58.6
58.6
6
S
176.50
173.1
173.1
Spectral Data
Additional Data
Download
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
ocmainz inhouse-2
Prediction 1
acd_lotusv7
1
Q
10.80
10.8
11.14
2
T
24.20
24.2
24.6
3
D
35.50
35.5
36.9
4
Q
15.01
14.2
15.0
5
D
58.60
58.6
59.5
6
S
173.10
173.1
176.5
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