Home
Current usage is:
Registered Users: 2392
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  
 



Spectral Data   Additional Data   Download  
Molecule
60015925
Chemical name(s)2-(trifluoromethyl)pyrimidine
Chemical formulaC5H3N2F3
Molecular weight148.086
Number of double bond equivalents (DBEs)4.0
Number of all rings, size of smallest set of smallest rings1, 1
Canonical name(s)
CAS-Number 116470-67-8
Additional information
Links from Unichem: EPA (Environmental Protection Agency) CompTox Dashboard;ZINC;ChemicalBook;PubChem Compounds;SureChEMBL;MolPort
Molecule keywords
DOI
1H Spectrum
60018283 Rating: 10 (10: nmrshiftdb2 quality check: 10 (accept)/reliability: excellent (admin))
Type1H
Measurement conditions
Temperature [K]298
SolventChloroform-D1 (CDCl3)
Field Strength [MHz]300.0
Assignment MethodUnreported
Literature Wieland Tyrra; Angela Möller; Dieter Naumann; Yurii L. Yagupolskii; Aleksej I. Mushta; Mikhail M. Kremlev: Me3SiCF3/AgF/Cu—A new reagents combination for selective trifluoromethylation of various organic halides by trifluoromethylcopper, CuCF3, in: Journal of Fluorine Chemistry, vol. 133/2012, pp. 67 - 71 (DOI: 10.1016/j.jfluchem.2011.07.025).
Additional comments
nmrshiftdb2 quality report Download
Additional information
Spectrum categories



Spectral Data   Additional Data   Download  
Type: 19F 283.0188832023306 Double click to get resizeable window!
Atom
Mult.(coupling const.)
Meas.
Shift
Intensity
8 S -70.6 1.0
9 S -70.6 1.0
10 S -70.6 1.0

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 856 users, 5179483 since 2010-12-14 23:09:00.0) © NMRShiftDB project 2002-2010, © Stefan Kuhn 2010 - 2019.