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Spectral Data   Additional Data  
Type: 13C
Atom
No.
Mult.(coupling const.)
Meas.
Shift
Intensity
expt-0
ocmainz inhouse-2
1 Q 30.1 0.245 30.3
2 S 207.1 0.138 209.0
3 T 52.7 0.326 52.8
4 D 24.7 0.397 24.6
5 Q 22.6 1.0 22.5
6 Q 22.6 1.0 22.5





Type: 13C
Atom
No.
Mult.(coupling const.)
Meas.
Shift
expt-0
dkfz spektren database
1 Q 30.3 30.1
2 S 209.0 207.1
3 T 52.8 52.7
4 D 24.6 24.7
5 Q 22.5 22.6
6 Q 22.5 22.6





Type: 1H
Atom
No.
Mult.(coupling const.)
Meas.
Shift
1-H 2.123 (H 8)
3-H 2.312 (H 11)
4-H 2.133 (H 13)
5-H 0.926 (H 14)
6-H 0.926 (H 17)






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