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Spectral Data   Additional Data  
Type: 13C
Atom
No.
Mult.(coupling const.)
Meas.
Shift
expt-0
dkfz spektren database
expt-1
sdbs
1 S 111.6 111.7111.67
2 S 155.7 156.0155.87
3 D 111.9 112.2112.03
4 D 128.5 128.5128.51
5 D 121.7 121.8121.76
6 D 133.2 133.2133.27
7 Q 56.1 56.056.03




Type: 13C
Atom
No.
Mult.(coupling const.)
Meas.
Shift
Intensity
expt-0
sdbs
expt-1
ocmainz inhouse-2
1 S 111.7 0.285 111.67111.6
2 S 156.0 0.134 155.87155.7
3 D 112.2 0.936 112.03111.9
4 D 128.5 1.0 128.51128.5
5 D 121.8 0.909 121.76121.7
6 D 133.2 0.885 133.27133.2
7 Q 56.0 0.997 56.0356.1




Type: 13C
Atom
No.
Mult.(coupling const.)
Meas.
Shift
expt-0
dkfz spektren database
expt-1
ocmainz inhouse-2
1 S 111.67 111.7111.6
2 S 155.87 156.0155.7
3 D 112.03 112.2111.9
4 D 128.51 128.5128.5
5 D 121.76 121.8121.7
6 D 133.27 133.2133.2
7 Q 56.03 56.056.1




Type: 1H
Atom
No.
Mult.(coupling const.)
Meas.
Shift
3-H 6.810 (H 10)
4-H 7.220 (H 11)
5-H 6.810 (H 12)
6-H 7.490 (H 13)
7-H 3.845 (H 14)





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