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This molecule with some stereoconfiguration:


Spectral Data   Additional Data   Download  
Type: 13C 37.5
Atom
Mult.(coupling const.)
Meas.
Shift
expt-0
ocmainz inhouse-2
Prediction 1
acd_lotusv7
Prediction 2
hose_lotusv7
1 S 71.71 71.771.771.7
2 T 30.93 31.131.131.1
3 T 27.15 27.227.327.2
4 S 133.80 133.7133.65133.7
5 D 118.54 118.7118.6118.7
6 T 34.60 34.534.534.5
7 Q 23.28 23.323.323.3
8 D 36.84 36.936.936.9
9 Q 16.89 16.917.016.95
10 Q 16.89 17.016.916.95





Spectral Data   Additional Data   Download  
Type: 13C Unreported
Atom
Mult.(coupling const.)
Meas.
Shift
expt-0
Prediction 1
acd_lotusv7
Prediction 2
hose_lotusv7
1 S 71.7 71.7171.771.7
2 T 31.1 30.9331.131.1
3 T 27.2 27.1527.327.2
4 S 133.7 133.8133.65133.7
5 D 118.7 118.54118.6118.7
6 T 34.5 34.634.534.5
7 Q 23.3 23.2823.323.3
8 D 36.9 36.8436.936.9
9 Q 16.9 16.8917.016.95
10 Q 17.0 16.8916.916.95





Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
ocmainz inhouse-2
expt-1
Prediction 2
hose_lotusv7
1 S 71.70 71.771.7171.7
2 T 31.10 31.130.9331.1
3 T 27.30 27.227.1527.2
4 S 133.65 133.7133.8133.7
5 D 118.60 118.7118.54118.7
6 T 34.50 34.534.634.5
7 Q 23.30 23.323.2823.3
8 D 36.90 36.936.8436.9
9 Q 17.00 16.916.8916.95
10 Q 16.90 17.016.8916.95





Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
ocmainz inhouse-2
expt-1
Prediction 2
acd_lotusv7
1 S 71.70 71.771.7171.7
2 T 31.10 31.130.9331.1
3 T 27.20 27.227.1527.3
4 S 133.70 133.7133.8133.65
5 D 118.70 118.7118.54118.6
6 T 34.50 34.534.634.5
7 Q 23.30 23.323.2823.3
8 D 36.90 36.936.8436.9
9 Q 16.95 16.916.8917.0
10 Q 16.95 17.016.8916.9






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