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/c1ccccc1Cl)c1ccc(cc1)C(=O)OC
InChI:
InChI=1S/C22H17ClN2O4/c1-28-21(26)15-9-7-14(8-10-15)17-12-11-16(22(27)29-2)13-20(17)25-24-19-6-4-3-5-18(19)23/h3-13H,1-2H3/b25-24+
InChIKey:
KKCNYVPRKVNHJG-OCOZRVBESA-N
Exact Mass:
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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 = 3.96 (s, 3H, CH3), 3.99 (s, 3H, CH3), 7.24–7.28 (m, 1H, CHAr), 7.23−7.30 (m, 1H, CHAr), 7.35−7.45 (m, 2H, CHAr), 7.56–7.59 (m, 2H, CHAr), 7.67 (d, J = 8.1 Hz, 1H, CHAr), 8.11–8.15, (m, 2H, CHAr), 8.24 (dd, J = 8.1 Hz, J = 1.7 Hz, 1H, CHAr), 8.43 (d, J = 1.4 Hz, 1H, CHAr). Spectrum contains ca 10% impurities which is assumed to be the minor isomer (E/Z-isomerization of the -N=N- bond).
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