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Spectral Data   Additional Data  
Type: 13C
Atom
No.
Mult.(coupling const.)
Meas.
Shift
expt-0
ocmainz inhouse-2
expt-1
dkfz spektren database
1 S 112.4 112.8112.8
2 S 154.5 154.5154.5
3 D 114.7 114.1114.9
4 D 123.6 123.9123.9
5 S 149.2 149.5149.5
6 D 117.5 117.9117.9
7 S 172.0 172.0172.0




Type: 13C
Atom
No.
Mult.(coupling const.)
Meas.
Shift
expt-0
dkfz spektren database
expt-1
ocmainz inhouse-2
1 S 112.8 112.8112.4
2 S 154.5 154.5154.5
3 D 114.1 114.9114.7
4 D 123.9 123.9123.6
5 S 149.5 149.5149.2
6 D 117.9 117.9117.5
7 S 172.0 172.0172.0




Type: 13C
Atom
No.
Mult.(coupling const.)
Meas.
Shift
Intensity
expt-0
ocmainz inhouse-2
expt-1
ocmainz inhouse-2
1 S 112.8 0.433 112.8112.4
2 S 154.5 0.673 154.5154.5
3 D 114.9 1.0 114.1114.7
4 D 123.9 0.962 123.9123.6
5 S 149.5 0.658 149.5149.2
6 D 117.9 0.951 117.9117.5
7 S 172.0 0.458 172.0172.0




Type: 1H
Atom
No.
Mult.(coupling const.)
Meas.
Shift
3-H 6.829 (H 12)
4-H 6.988 (H 13)
6-H 7.209 (H 14)
8-H 10.600 (H 15)
9-H 10.600 (H 16)
11-H 10.600 (H 17)





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