This information is based on the molecular structure shown on the left side. For a decoupled sample, please refer to its individual details.

Formula: C13H17ClF3N3


Canonical SMILES:
CC(N(C(C)C)/N=N/c1cc(ccc1Cl)C(F)(F)F)C
InChI:
InChI=1S/C13H17ClF3N3/c1-8(2)20(9(3)4)19-18-12-7-10(13(15,16)17)5-6-11(12)14/h5-9H,1-4H3/b19-18+
InChIKey:
PJTXEZJKFHIIIH-VHEBQXMUSA-N
Exact Mass:
Crosslinks:   


Published on 2014-05-27This work is licensed under a Creative Commons Attribution-ShareAlike 4.0 International License.

 

13C nuclear magnetic resonance spectroscopy (13C NMR) 
Author: Andreas Hafner
Analysis DOI:
Analysis ID:
Content:   
13C-NMR (100 MHz, CDCl3, ppm), δ = 19.0 (CH3), 23.6 (CH3), 47.8 (CH), 50.5 (CH), 114.9 (q, J = 3.8 Hz), 121.3 (q, J = 3.8 Hz), 123.9 (Cquart, q, J = 272.4 Hz, CF3), 129.4 (Cquart, q, J = 32.4 Hz, CCF3), 130.4, 132.4 (Cquart, C-2), 148.3 (Cquart, C-1) ppm.
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