Home
Current usage is:
Registered Users: 2390
Structures: 271630
Spectra: Measured 68118, calculated 396582
Username:
Password:
Use cookies for persistant login
ImpressumProblems using nmrshiftdb2? See our tips on browsers to use !

  Home     Search     Results     Quick Check     Predict     Assignment     Submit     Review     Help  
  Search Results  
  You did not do a search!  
     
  Bookmarks  
  You could bookmark structures if you were logged in!  
     
  Details  
 

This molecule without stereoconfiguration:


General   ChiuZ/Chloroform-D1 (CDCl3)  
Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
ocmainz inhouse-2
expt-1
ChiuZ
Prediction 2
acd_lotusv7
Prediction 3
hose_lotusv7
1 D 83.7 84.884.884.784.8
2 S 55.0 55.355.356.3855.3
3 S 55.0 55.355.356.3855.3
4 D 83.7 84.884.884.784.8
5 T 22.6 23.423.424.5723.4
6 T 22.6 23.423.424.5723.4
7 S 178.2 175.9175.9175.53175.9
8 S 178.2 175.9175.9175.53175.9
9 Q 15.5 12.712.719.3612.7
10 Q 17.9 12.712.719.3612.7





Spectral Data   Additional Data   Download  
Type: 13C Unreported
Atom
Mult.(coupling const.)
Meas.
Shift
Prediction 0
expt-1
ChiuZ
Prediction 2
acd_lotusv7
Prediction 3
hose_lotusv7
1 D 84.8 83.784.884.784.8
2 S 55.3 55.055.356.3855.3
3 S 55.3 55.055.356.3855.3
4 D 84.8 83.784.884.784.8
5 T 23.4 22.623.424.5723.4
6 T 23.4 22.623.424.5723.4
7 S 175.9 178.2175.9175.53175.9
8 S 175.9 178.2175.9175.53175.9
9 Q 12.7 15.512.719.3612.7
10 Q 12.7 17.912.719.3612.7





Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
expt-1
ocmainz inhouse-2
expt-2
ChiuZ
Prediction 3
hose_lotusv7
1 D 84.70 83.784.884.884.8
2 S 56.38 55.055.355.355.3
3 S 56.38 55.055.355.355.3
4 D 84.70 83.784.884.884.8
5 T 24.57 22.623.423.423.4
6 T 24.57 22.623.423.423.4
7 S 175.53 178.2175.9175.9175.9
8 S 175.53 178.2175.9175.9175.9
9 Q 19.36 15.512.712.712.7
10 Q 19.36 17.912.712.712.7





Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
expt-1
ocmainz inhouse-2
expt-2
ChiuZ
Prediction 3
acd_lotusv7
1 D 84.8 83.784.884.884.7
2 S 55.3 55.055.355.356.38
3 S 55.3 55.055.355.356.38
4 D 84.8 83.784.884.884.7
5 T 23.4 22.623.423.424.57
6 T 23.4 22.623.423.424.57
7 S 175.9 178.2175.9175.9175.53
8 S 175.9 178.2175.9175.9175.53
9 Q 12.7 15.512.712.719.36
10 Q 12.7 17.912.712.719.36






Report incorrect data
Copy molecule link
 
     


nmrshiftdb2 (V. 1.4.15, nmrshiftdb.nmr.uni-koeln.de, currently 1698 users, 5167833 since 2010-12-14 23:09:00.0) © NMRShiftDB project 2002-2010, © Stefan Kuhn 2010 - 2019.