Home
Current usage is:
Registered Users: 2391
Structures: 271631
Spectra: Measured 68119, 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 with some stereoconfiguration:


General   sdbs  
Spectral Data   Additional Data   Download  
Type: 13C Unreported Double click to get resizeable window!
Atom
Mult.(coupling const.)
Meas.
Shift
expt-0
sdbs
Prediction 1
acd_lotusv7
Prediction 2
hose_lotusv7
1 D 118.1 118.06118.18118.1
2 D 118.3 118.3119.43119.22
3 D 120.8 120.75119.55120.24
4 D 111.3 111.29111.36111.2
5 S 136.3 136.34136.53136.3
6 S 127.4 127.4127.38127.4
7 D 122.5 122.53122.57122.5
8 S 112.6 112.6112.6112.6
9 T 29.6 29.5528.5829.6
10 T 42.7 42.7141.7942.7

Double click upper part to get resizeable window!



Spectral Data   Additional Data   Download  
13C Spectrum
60021974 Rating: 10
Type13C
Prediction conditions
ProgramACD/Labs C+H NMR Predictors and DB, 2020.1.0
Literature
Additional commentsID: 1833; SMILES_ID: Q409439_7903; multplicities generated from proton count
Additional information
Spectrum categoriesacd_lotusv7



Spectral Data   Additional Data   Download  
Type: 13C Double click to get resizeable window!
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
ocmainz inhouse-2
expt-1
sdbs
Prediction 2
acd_lotusv7
1 D 118.10 118.1118.06118.18
2 D 119.22 118.3118.3119.43
3 D 120.24 120.8120.75119.55
4 D 111.20 111.3111.29111.36
5 S 136.30 136.3136.34136.53
6 S 127.40 127.4127.4127.38
7 D 122.50 122.5122.53122.57
8 S 112.60 112.6112.6112.6
9 T 29.60 29.629.5528.58
10 T 42.70 42.742.7141.79

Double click upper part to get resizeable window!




Report incorrect data
Copy molecule link
 
     


nmrshiftdb2 (V. 1.4.15, nmrshiftdb.nmr.uni-koeln.de, currently 602 users, 5172680 since 2010-12-14 23:09:00.0) © NMRShiftDB project 2002-2010, © Stefan Kuhn 2010 - 2019.