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Spectral Data   Additional Data   Download  
Type: 13C Unreported
Atom
Mult.(coupling const.)
Meas.
Shift
expt-0
ocmainz inhouse-2
Prediction 1
acd_lotusv9
1 D 126.2 125.7126.02
2 D 128.6 128.2128.46
3 D 127.1 126.8126.96
4 S 147.9 148.0147.93
5 D 127.1 126.8126.96
6 D 128.6 128.2128.46
7 D 50.6 44.644.96
8 T 35.1 34.534.88
9 T 27.2 26.927.23
10 T 26.6 26.226.55
11 T 27.2 26.927.23
12 T 35.1 34.534.88





Spectral Data   Additional Data   Download  
Type: 13C Unreported
Atom
Mult.(coupling const.)
Meas.
Shift
expt-0
Prediction 1
acd_lotusv9
1 D 125.7 126.2126.02
2 D 128.2 128.6128.46
3 D 126.8 127.1126.96
4 S 148.0 147.9147.93
5 D 126.8 127.1126.96
6 D 128.2 128.6128.46
7 D 44.6 50.644.96
8 T 34.5 35.134.88
9 T 26.9 27.227.23
10 T 26.2 26.626.55
11 T 26.9 27.227.23
12 T 34.5 35.134.88





Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
ocmainz inhouse-2
expt-1
1 D 126.02 125.7126.2
2 D 128.46 128.2128.6
3 D 126.96 126.8127.1
4 S 147.93 148.0147.9
5 D 126.96 126.8127.1
6 D 128.46 128.2128.6
7 D 44.96 44.650.6
8 T 34.88 34.535.1
9 T 27.23 26.927.2
10 T 26.55 26.226.6
11 T 27.23 26.927.2
12 T 34.88 34.535.1





Spectral Data   Additional Data   Download  
Type: 1H Unreported
Atom
Mult.(coupling const.)
Meas.
Shift
1-H 7.24
2-H
3-H
5-H 7.24
6-H 7.24
7-H 2.47
8-H
9-H
10-H 1.84, 1.33
11-H 1.84, 1.33
12-H 1.84, 1.33






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