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Spectral Data   Additional Data  
Type: 13C
Atom
No.
Mult.(coupling const.)
Meas.
Shift
Intensity
expt-0
ocmainz inhouse-2
1 S 150.2 0.171 148.2
2 D 117.4 1.0 115.5
3 D 117.4 1.0 115.3
4 S 141.8 0.114 140.5
5 D 117.4 1.0 115.3
6 D 117.4 1.0 115.5




Type: 13C
Atom
No.
Mult.(coupling const.)
Meas.
Shift
expt-0
dkfz spektren database
1 S 148.2 150.2
2 D 115.5 117.4
3 D 115.3 117.4
4 S 140.5 141.8
5 D 115.3 117.4
6 D 115.5 117.4




Type: 1H
Atom
No.
Mult.(coupling const.)
Meas.
Shift
2-H
3-H
5-H 6.426 (H 11)
6-H 6.485 (H 12)
7-H 8.360 (H 13)
8-H 4.360 (H 14)





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