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:
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Published on 2019-04-09This 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 = 52.2 (CH3), 52.5 (CH3), 117.5 (CHAr), 122.0 (CHAr), 123.3 (Cquart.), 126.5 (CHAr), 129.0 (2C, CHAr), 130.5 (CHAr), 130.7 (Cquart.), 130.7 (2C, CHAr), 130.7 (Cquart.), 131.0 (CHAr), 131.7 (CHAr), 134.2 (CHAr), 142.5 (Cquart.), 144.3 (Cquart.), 149.2 (Cquart.), 153.5 (Cquart.), 166.3 (Cquart., COOCH3), 166.9 (Cquart., COOCH3). Spectrum contains ca. 10% impurities assumed to origin in the isomerism (E/Z) of the compound.
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