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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 118.6 118.73118.6
2 D 118.9 119.0118.9
3 D 121.7 121.7121.7
4 D 110.9 111.03109.95
5 S 136.0 136.3136.0
6 S 128.0 128.27128.0
7 D 121.6 121.83121.6
8 S 111.0 110.93111.0
10 Q 9.4 9.49.4





Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
ocmainz inhouse-2
Prediction 1
hose_lotusv7
1 D 118.73 118.6118.6
2 D 119.00 118.9118.9
3 D 121.70 121.7121.7
4 D 111.03 110.9109.95
5 S 136.30 136.0136.0
6 S 128.27 128.0128.0
7 D 121.83 121.6121.6
8 S 110.93 111.0111.0
10 Q 9.40 9.49.4





Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
ocmainz inhouse-2
Prediction 1
acd_lotusv7
1 D 118.60 118.6118.73
2 D 118.90 118.9119.0
3 D 121.70 121.7121.7
4 D 109.95 110.9111.03
5 S 136.00 136.0136.3
6 S 128.00 128.0128.27
7 D 121.60 121.6121.83
8 S 111.00 111.0110.93
10 Q 9.40 9.49.4





Spectral Data   Additional Data   Download  
Type: 1H Unreported
Atom
Mult.(coupling const.)
Meas.
Shift
1-H 7.571
2-H 7.116
3-H 7.174
4-H 7.249
7-H 6.853
9-H 7.600
10-H 2.313






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