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

Formula: C22H17ClN2O4


Canonical SMILES:
COC(=O)c1ccc(c(c1)/N=N/c1cccc(c1)Cl)c1ccc(cc1)C(=O)OC
InChI:
InChI=1S/C22H17ClN2O4/c1-28-21(26)15-8-6-14(7-9-15)19-11-10-16(22(27)29-2)12-20(19)25-24-18-5-3-4-17(23)13-18/h3-13H,1-2H3/b25-24+
InChIKey:
YCQRLSZUDSSPRD-OCOZRVBESA-N
Exact Mass:
Crosslinks:   


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

 

1H nuclear magnetic resonance spectroscopy (1H NMR) 
Authors: Jérôme Wagner1 - Patrick Hodapp1 - Sylvain Grosjean1

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

Analysis DOI:
Analysis ID:
Content:   
1H NMR (400 MHz, CDCl3, ppm) δ = 3.98 (s, 3H, CH3), 4.00 (s, 3H, CH3), 7.40–7.47 (m, 2H, CHAr), 7.56–7.58 (m, 2H, CHAr), 7.66–7.71 (m, 2H, CHAr), 7.78 (s, 1H, CHAr), 8.12–8.15 (m, 2H, CHAr), 8.25 (d, J = 8.1 Hz, 1H, CHAr), 8.41 (s, 1H, CHAr). Spectrum contains ca 5% impurities which is assumed to be the minor isomer (E/Z-isomerization of the -N=N- bond).
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