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

Formula: C22H17BrN2O4


Canonical SMILES:
COC(=O)c1ccc(c(c1)/N=N/c1cccc(c1)Br)c1ccc(cc1)C(=O)OC
InChI:
InChI=1S/C22H17BrN2O4/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:
WYSBGBKANOAHFR-OCOZRVBESA-N
Exact Mass:
Crosslinks:   


Published on 2019-04-09This 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), 7.37 (t, J = 8.0 Hz, 1H, CHAr), 7.56–7.58 (m, 2H, CHAr), 7.61 (d, J=7.9 Hz, 1 H), 7.69 (d, J = 8.1 Hz, 1H, CHAr), 7.73 (d, J = 8.5 Hz, 1H, CHAr), 7.95 (s, 1H, CHAr), 8.13–8.15, (m, 2H, CHAr), 8.25 (d, J = 8.1 Hz, 1H, CHAr), 8.41 (s, 1H, CHAr). Spectrum contains ca. 10% impurities assumed to origin in the isomerism (E/Z) of the compound.
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