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This molecule without stereoconfiguration:


General   ChiuZ/Chloroform-D1 (CDCl3)  
Spectral Data   Additional Data   Download  
Type: 13C Double click to get resizeable window!
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
ocmainz inhouse-2
expt-1
ChiuZ
Prediction 2
acd_lotusv7
Prediction 3
hose_lotusv7
10 Q 17.9 12.712.719.3612.7
9 Q 15.5 12.712.719.3612.7
8 S 178.2 175.9175.9175.53175.9
7 S 178.2 175.9175.9175.53175.9
6 T 22.6 23.423.424.5723.4
5 T 22.6 23.423.424.5723.4
4 D 83.7 84.884.884.784.8
3 S 55.0 55.355.356.3855.3
2 S 55.0 55.355.356.3855.3
1 D 83.7 84.884.884.784.8

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Spectral Data   Additional Data   Download  
Type: 13C Unreported Double click to get resizeable window!
Atom
Mult.(coupling const.)
Meas.
Shift
Prediction 0
expt-1
ChiuZ
Prediction 2
acd_lotusv7
Prediction 3
hose_lotusv7
10 Q 12.7 17.912.719.3612.7
9 Q 12.7 15.512.719.3612.7
8 S 175.9 178.2175.9175.53175.9
7 S 175.9 178.2175.9175.53175.9
6 T 23.4 22.623.424.5723.4
5 T 23.4 22.623.424.5723.4
4 D 84.8 83.784.884.784.8
3 S 55.3 55.055.356.3855.3
2 S 55.3 55.055.356.3855.3
1 D 84.8 83.784.884.784.8

Double click upper part to get resizeable window!



Spectral Data   Additional Data   Download  
Type: 13C Double click to get resizeable window!
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
expt-1
ocmainz inhouse-2
expt-2
ChiuZ
Prediction 3
hose_lotusv7
10 Q 19.36 17.912.712.712.7
9 Q 19.36 15.512.712.712.7
8 S 175.53 178.2175.9175.9175.9
7 S 175.53 178.2175.9175.9175.9
6 T 24.57 22.623.423.423.4
5 T 24.57 22.623.423.423.4
4 D 84.70 83.784.884.884.8
3 S 56.38 55.055.355.355.3
2 S 56.38 55.055.355.355.3
1 D 84.70 83.784.884.884.8

Double click upper part to get resizeable window!



Spectral Data   Additional Data   Download  
Type: 13C Double click to get resizeable window!
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
expt-1
ocmainz inhouse-2
expt-2
ChiuZ
Prediction 3
acd_lotusv7
10 Q 12.7 17.912.712.719.36
9 Q 12.7 15.512.712.719.36
8 S 175.9 178.2175.9175.9175.53
7 S 175.9 178.2175.9175.9175.53
6 T 23.4 22.623.423.424.57
5 T 23.4 22.623.423.424.57
4 D 84.8 83.784.884.884.7
3 S 55.3 55.055.355.356.38
2 S 55.3 55.055.355.356.38
1 D 84.8 83.784.884.884.7

Double click upper part to get resizeable window!




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