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

Formula: C23H17F3N2O4


Canonical SMILES:
COC(=O)c1ccc(c(c1)/N=N/c1ccccc1C(F)(F)F)c1ccc(cc1)C(=O)OC
InChI:
InChI=1S/C23H17F3N2O4/c1-31-21(29)15-9-7-14(8-10-15)17-12-11-16(22(30)32-2)13-20(17)28-27-19-6-4-3-5-18(19)23(24,25)26/h3-13H,1-2H3/b28-27+
InChIKey:
HIDIESMGJMTBDP-BYYHNAKLSA-N
Exact Mass:
Crosslinks:   


Published on 2019-04-03This work is licensed under a Creative Commons Attribution-ShareAlike 4.0 International License.

 

13C nuclear magnetic resonance spectroscopy (13C NMR) 
Authors: Jérôme Wagner1 - Patrick Hodapp1 - Sylvain Grosjean1

1. Institute of Organic Chemistry, Karlsruhe Institute of Technology, Germany

Analysis DOI:
Analysis ID:
Content:   
13C NMR (100 MHz, CDCl3, ppm) δ = 52.4 (CH3), 52.6 (CH3), 117.6 (CHAr), 121.8 (q, J = 3.9 Hz, CHAr), 125.1 (CHAr), 127.2 (q, J = 3.7 Hz, CHAr), 129.2 (2C, CHAr), 129.9 (Cquart.), 130.0 (CHAr), 130.9 (2C, Cquart.), 130.9 (2C, CHAr), 131.2 (CHAr), 132.0 (CHAr), 142.5 (Cquart.), 144.7 (Cquart.), 149.3 (Cquart.), 152.6 (Cquart.), 166.4 (Cquart., COOCH3), 167.0 (Cquart., COOCH3), Missing Carbon (CF3).
Datasets