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Spectral Data   Additional Data   Download  
Type: 13C Unreported
Atom
Mult.(coupling const.)
Meas.
Shift
expt-0
ocmainz inhouse database
Prediction 1
acd_lotusv7
Prediction 2
hose_lotusv7
1 D 124.0 123.35123.6123.38
2 D 149.4 148.81149.38149.35
3 S 156.4 155.76156.22156.08
4 D 121.4 120.69121.58121.05
5 D 137.2 136.51136.98137.05
6 S 156.4 155.76156.22156.08
7 D 149.4 148.81149.38149.35
8 D 124.0 123.35123.6123.38
9 D 137.2 136.51136.98137.05
10 D 121.4 120.69121.58121.05





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 D 123.35 124.0123.6123.38
2 D 148.81 149.4149.38149.35
3 S 155.76 156.4156.22156.08
4 D 120.69 121.4121.58121.05
5 D 136.51 137.2136.98137.05
6 S 155.76 156.4156.22156.08
7 D 148.81 149.4149.38149.35
8 D 123.35 124.0123.6123.38
9 D 136.51 137.2136.98137.05
10 D 120.69 121.4121.58121.05





Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
ocmainz inhouse database
expt-1
Prediction 2
hose_lotusv7
1 D 123.60 123.35124.0123.38
2 D 149.38 148.81149.4149.35
3 S 156.22 155.76156.4156.08
4 D 121.58 120.69121.4121.05
5 D 136.98 136.51137.2137.05
6 S 156.22 155.76156.4156.08
7 D 149.38 148.81149.4149.35
8 D 123.60 123.35124.0123.38
9 D 136.98 136.51137.2137.05
10 D 121.58 120.69121.4121.05





Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
ocmainz inhouse database
expt-1
Prediction 2
acd_lotusv7
1 D 123.38 123.35124.0123.6
2 D 149.35 148.81149.4149.38
3 S 156.08 155.76156.4156.22
4 D 121.05 120.69121.4121.58
5 D 137.05 136.51137.2136.98
6 S 156.08 155.76156.4156.22
7 D 149.35 148.81149.4149.38
8 D 123.38 123.35124.0123.6
9 D 137.05 136.51137.2136.98
10 D 121.05 120.69121.4121.58





Spectral Data   Additional Data   Download  
Type: 1H Unreported
Atom
Mult.(coupling const.)
Meas.
Shift
1-H 7.10
2-H 8.53
4-H 8.27
5-H 7.62
7-H 8.53
8-H 7.10
9-H 7.62
10-H 8.27






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