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Spectral Data   Additional Data  
Type: 13C
Atom
No.
Mult.(coupling const.)
Meas.
Shift
1 T 128.0
2 D 137.1
3 S 197.5
5 Q 25.7




Type: 1H
Atom
No.
Mult.(coupling const.)
Meas.
Shift
expt-0
sdbs
1-H 5.90 (H 6, H 7) 6.211
2-H 6.35 (H 8) 6.298
5-H 2.32 (H 9, H 10, H 11) 2.286




Type: 1H
Atom
No.
Mult.(coupling const.)
Meas.
Shift
expt-0
1-H 6.211 (H 6), 5.908 (H 7) 5.9
2-H 6.298 (H 8) 6.35
5-H 2.286 (H 9) 2.32





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