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

Formula: C22H17IN2O4


Canonical SMILES:
COC(=O)c1ccc(c(c1)/N=N/c1ccccc1I)c1ccc(cc1)C(=O)OC
InChI:
InChI=1S/C22H17IN2O4/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:
DDVAJMREVMAJPA-OCOZRVBESA-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 = 52.2 (CH3), 52.5 (CH3), 103.4 (Cquart., 2C), 117.6 (CHAr), 118.5 (CHAr), 129.0 (CHAr), 129.1 (2C, CHAr), 129.6 (Cquart.), 130.8 (2C, CHAr), 130.9 (CHAr), 131.7 (CHAr), 132.7 (CHAr), 140.0 (CHAr), 142.5 (Cquart.), 144.4 (Cquart.), 149.2 (Cquart.), 151.2 (Cquart.), 166.4 (Cquart., COOCH3), 167.0 (Cquart., COOCH3).
Datasets