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Spectral Data   Additional Data   Download  
Type: 1H 60
Atom
Mult.(coupling const.)
Meas.
Shift
1-H 7.52
2-H 7.52
3-H 7.52
4-H 7.52
5-H 7.52
7-H 5.40
9-H
11-H





Spectral Data   Additional Data   Download  
Type: 13C Unreported
Atom
Mult.(coupling const.)
Meas.
Shift
Prediction 0
acd_lotusv7
Prediction 1
hose_lotusv7
1 D 128.4 128.4128.4
2 D 128.0 128.0128.0
4 D 128.0 128.0128.0
5 D 128.4 128.4128.4
6 S 134.8 134.67134.8
7 D 55.2 55.255.2
8 S 174.0 173.99174.0





Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
ocmainz inhouse-2
Prediction 1
hose_lotusv7
1 D 128.40 128.4128.4
2 D 128.00 128.0128.0
3 D 129.50 127.72
4 D 128.00 128.0128.0
5 D 128.40 128.4128.4
6 S 134.67 134.8134.8
7 D 55.20 55.255.2
8 S 173.99 174.0174.0





Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
ocmainz inhouse-2
Prediction 1
acd_lotusv7
1 D 128.40 128.4128.4
2 D 128.00 128.0128.0
3 D 127.72 129.5
4 D 128.00 128.0128.0
5 D 128.40 128.4128.4
6 S 134.80 134.8134.67
7 D 55.20 55.255.2
8 S 174.00 174.0173.99






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