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

Formula: C16H22F3N3O2


Canonical SMILES:
CCOC(=O)c1ccc(c(c1)C(F)(F)F)/N=N/N(C(C)C)C(C)C
InChI:
InChI=1S/C16H22F3N3O2/c1-6-24-15(23)12-7-8-14(13(9-12)16(17,18)19)20-21-22(10(2)3)11(4)5/h7-11H,6H2,1-5H3/b21-20+
InChIKey:
GUVBZGBNNQJRGH-QZQOTICOSA-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): d =14.3 (+, CH3), 19.1 (+, CH3), 23.6 (+, CH3), 48.4 (+, CH), 50.8 (+, CH), 61.0 (–, CH2),116.7 (+, CH-6), 123.1 (Cquart,q, 2J = 30.3 Hz, C-2), 123.9 (Cquart, q, 1J = 273.6 Hz, CF3), 125.4 (Cquart, CH-4), 128.2 (+, q, 3J= 5.6 Hz, CH-3), 133.3 (+, CH-5), 152.7 (Cquart, C-1), 165.9 (Cquart, CO) ppm.
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