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General   Chemikalienlager Uni Mainz/Chloroform-D1 (CDCl3)  
Spectral Data   Additional Data   Download  
Type: 13C Unreported
Atom
Mult.(coupling const.)
Meas.
Shift
expt-0
Chemikalienlager Uni Mainz
Prediction 1
acd_lotusv7
Prediction 2
hose_lotusv7
1 Q 29.3 29.857129.3729.3
2 S 206.6 209.303207.45206.6
3 T 45.2 45.654445.2745.2
5 T 17.5 17.257817.417.5
6 Q 13.5 13.663813.5713.5





Spectral Data   Additional Data   Download  
Type: 1H 300
Atom
Mult.(coupling const.)
Meas.
Shift
expt-0
Chemikalienlager Uni Mainz
1-H 2.07 2.11479
3-H 2.34 2.38908
5-H 1.54 1.58406
6-H 0.85 0.8981





Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
expt-1
Chemikalienlager Uni Mainz
Prediction 2
hose_lotusv7
1 Q 29.37 29.329.857129.3
2 S 207.45 206.6209.303206.6
3 T 45.27 45.245.654445.2
5 T 17.40 17.517.257817.5
6 Q 13.57 13.513.663813.5





Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
expt-1
Chemikalienlager Uni Mainz
Prediction 2
acd_lotusv7
1 Q 29.3 29.329.857129.37
2 S 206.6 206.6209.303207.45
3 T 45.2 45.245.654445.27
5 T 17.5 17.517.257817.4
6 Q 13.5 13.513.663813.57






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