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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
ocmainz inhouse-2
expt-1
Chemikalienlager Uni Mainz
Prediction 2
acd_lotusv7
Prediction 3
hose_lotusv7
1 T 62.9 61.462.677861.8562.15
3 T 36.0
4 T 20.3 35.034.823634.8735.5
5 Q 15.2 19.118.87219.0519.7





Spectral Data   Additional Data   Download  
Type: 13C Unreported
Atom
Mult.(coupling const.)
Meas.
Shift
expt-0
expt-1
Chemikalienlager Uni Mainz
Prediction 2
acd_lotusv7
Prediction 3
hose_lotusv7
1 T 61.4 62.962.677861.8562.15
3 T 35.0
4 T 19.1 36.034.823634.8735.5
5 Q 13.6 20.318.87219.0519.7





Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
expt-1
ocmainz inhouse-2
expt-2
Chemikalienlager Uni Mainz
Prediction 3
hose_lotusv7
1 T 61.85 62.961.462.677862.15
3 T 34.87
4 T 19.05 36.035.034.823635.5
5 Q 13.76 20.319.118.87219.7





Spectral Data   Additional Data   Download  
13C Spectrum
70148267 Rating: 10
Type13C
Prediction conditions
ProgramHOSE code using nmrshiftdb2 data
Literature
Additional commentsSMILES_ID: Q16391_4022; multplicities generated from proton count
Additional information
Spectrum categorieshose_lotusv7



Spectral Data   Additional Data   Download  
Type: 1H 600.0
Atom
Mult.(coupling const.)
Meas.
Shift
expt-0
sdbs
1-H t (6.7) 3.62873 3.626
2-H br s 1.60413 2.24
3-H m 1.53898
4-H m (7.4) 1.37471 1.53
5-H t;t;t 0.92028 1.39





Spectral Data   Additional Data   Download  
Type: 1H Unreported
Atom
Mult.(coupling const.)
Meas.
Shift
expt-0
ChiuZ;Chemikalienlager Uni Mainz
1-H 3.626 3.62873
2-H 2.240 1.60413
3-H 1.530
4-H 1.390 1.53898
5-H 0.940 1.37471






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