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Spectral Data   Additional Data  
Type: 13C
Atom
No.
Mult.(coupling const.)
Meas.
Shift
Intensity
expt-0
1 S 211.4 0.167 212.5
2 Q 27.4 0.266 27.5
3 D 41.7 0.399 41.6
4 Q 18.3 1.0 18.2
5 Q 18.3 1.0 18.2




Type: 13C
Atom
No.
Mult.(coupling const.)
Meas.
Shift
expt-0
dkfz spektren database
1 S 212.5 211.4
2 Q 27.5 27.4
3 D 41.6 41.7
4 Q 18.2 18.3
5 Q 18.2 18.3




Type: 1H
Atom
No.
Mult.(coupling const.)
Meas.
Shift
2-H 2.07 (H 7, H 8, H 9)
3-H 2.53 (H 10)
4-H 1.04 (H 11, H 12, H 13)
5-H 1.04 (H 14, H 15, H 16)





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