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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 S 122.53 122.8122.5122.65
2 D 131.44 131.7131.5131.6
3 D 113.77 113.7113.5113.6
4 S 163.36 162.5163.3163.46
5 D 113.77 113.7113.5113.6
6 D 131.44 131.7131.5131.6
7 S 166.31 166.7166.8166.5
8 Q 55.56 55.455.456.57
9 Q 51.60 51.651.851.9





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 S 122.65 122.8122.5122.53
2 D 131.60 131.7131.5131.44
3 D 113.60 113.7113.5113.77
4 S 163.46 162.5163.3163.36
5 D 113.60 113.7113.5113.77
6 D 131.60 131.7131.5131.44
7 S 166.50 166.7166.8166.31
8 Q 56.57 55.455.455.56
9 Q 51.90 51.651.851.6






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