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Spectral Data   Additional Data  
Type: 13C
Atom
No.
Mult.(coupling const.)
Meas.
Shift
Intensity
expt-0
1 Q 8.0 1.0 8.0
2 T 35.5 0.936 35.5
3 S 211.0 0.17 210.7
4 T 35.5 0.936 35.5
5 Q 8.0 1.0 8.0




Type: 13C
Atom
No.
Mult.(coupling const.)
Meas.
Shift
expt-0
dkfz spektren database
1 Q 8.0 8.0
2 T 35.5 35.5
3 S 210.7 211.0
4 T 35.5 35.5
5 Q 8.0 8.0




Type: 1H
Atom
No.
Mult.(coupling const.)
Meas.
Shift
expt-0
1-H 1.05 (H 7, H 8, H 9)
2-H 2.42 (H 10, H 11) 2.48
4-H 2.42 (H 12, H 13) 2.48
5-H 1.05 (H 14, H 15, H 16)




Type: 1H
Atom
No.
Mult.(coupling const.)
Meas.
Shift
expt-0
1-H 1.05
2-H 2.48 (H 10, H 11) 2.42
4-H 2.48 (H 12, H 13) 2.42
5-H 1.05





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