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Spectral Data   Additional Data  
Type: 13C
Atom
No.
Mult.(coupling const.)
Meas.
Shift
expt-0
1 S 86.5 86.5
2 T 30.4 30.35
3 T 25.0 24.98
4 S 105.0 105.0
5 S 136.1 136.09
6 S 176.8 176.79
7 Q 24.3 24.35
8 Q 18.1 18.13





Type: 13C
Atom
No.
Mult.(coupling const.)
Meas.
Shift
Intensity
expt-0
ocmainz inhouse database
1 S 86.50 0.28 86.5
2 T 30.35 0.94 30.4
3 T 24.98 0.94 25.0
4 S 105.00 0.22 105.0
5 S 136.09 0.08 136.1
6 S 176.79 0.12 176.8
7 Q 24.35 1.0 24.3
8 Q 18.13 0.57 18.1





Type: 1H
Atom
No.
Mult.(coupling const.)
Meas.
Shift
Intensity
2-H 2.43 (H 13), 1.89 (H 14) 0.08;0.08
3-H 2.12 (H 18), 2.03 (H 19) 0.02;0.06
7-H 1.61 (H 15, H 16, H 17) 1.0
8-H 1.74 (H 20, H 21, H 22) 0.62






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