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.

 

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), 3.98 (s, 3H, CH3), 7.34 (dd, J = 7.8 Hz, J = 1.6 Hz, 1H, CHAr), 7.56–7.65 (m, 4H, CHAr), 7.68 (d, J = 8.1 Hz, 1H, CHAr), 7.94 (dd, J = 7.8 Hz, J = 1.6 Hz, 1H, CHAr), 8.12–8.15 (m, 2H, CHAr), 8.28 (dd, J = 8.1 Hz, J = 1.8 Hz, 1H, CHAr), 8.35 (d, J = 1.7 Hz, 1H, CHAr).
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