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Spectral Data   Additional Data   Download  
Type: 13C Unreported
Atom
Mult.(coupling const.)
Meas.
Shift
Prediction 0
acd_lotusv7
Prediction 1
hose_lotusv7
1 D 120.0 122.87120.0
2 D 116.5 117.33116.5
3 S 143.9 144.1143.9
4 S 144.9 145.0144.9
5 D 115.3 118.22115.3
6 S 125.6 127.69125.6
7 T 40.4 41.8440.4
8 S 173.2 179.39173.2





Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
ocmainz inhouse-2
Prediction 1
hose_lotusv7
1 D 122.87 120.0120.0
2 D 117.33 116.5116.5
3 S 144.10 143.9143.9
4 S 145.00 144.9144.9
5 D 118.22 115.3115.3
6 S 127.69 125.6125.6
7 T 41.84 40.440.4
8 S 179.39 173.2173.2





Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
ocmainz inhouse-2
Prediction 1
acd_lotusv7
1 D 120.0 120.0122.87
2 D 116.5 116.5117.33
3 S 143.9 143.9144.1
4 S 144.9 144.9145.0
5 D 115.3 115.3118.22
6 S 125.6 125.6127.69
7 T 40.4 40.441.84
8 S 173.2 173.2179.39






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