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

Formula: C22H17N3O6


Canonical SMILES:
COC(=O)c1ccc(c(c1)/N=N/c1ccccc1[N+](=O)[O-])c1ccc(cc1)C(=O)OC
InChI:
InChI=1S/C22H17N3O6/c1-30-21(26)15-9-7-14(8-10-15)17-12-11-16(22(27)31-2)13-19(17)24-23-18-5-3-4-6-20(18)25(28)29/h3-13H,1-2H3/b24-23+
InChIKey:
MIMQYKWERRPGSK-WCWDXBQESA-N
Exact Mass:
Crosslinks:   


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 = 52.4 (CH3), 52.7 (CH3), 118.0 (CHAr), 118.8 (CHAr), 124.4 (CHAr), 129.3 (2C, CHAr), 129.9 (Cquart.), 130.8 (2C, CHAr), 131.0 (CHAr), 131.1 (Cquart.), 131.2 (CHAr), 132.6 (CHAr), 133.3 (CHAr), 142.4 (Cquart.), 145.1 (Cquart.), 145.6 (Cquart.), 147.7 (Cquart.), 149.5 (Cquart.), 166.3 (Cquart., COOCH3), 167.0 (Cquart., COOCH3).
Datasets