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

Formula: C22H16N4


Canonical SMILES:
n1ccc(cc1)c1ccc(cc1/N=N/c1ccccc1)c1ccncc1
InChI:
InChI=1S/C22H16N4/c1-2-4-20(5-3-1)25-26-22-16-19(17-8-12-23-13-9-17)6-7-21(22)18-10-14-24-15-11-18/h1-16H/b26-25+
InChIKey:
FLPICFKQBFDOEY-OCEACIFDSA-N
Exact Mass:
Crosslinks:   


Published on 2019-04-06This work is licensed under a Creative Commons Attribution-ShareAlike 4.0 International License.

 

13C nuclear magnetic resonance spectroscopy (13C NMR) 
Authors: Sylvain Grosjean1 - Sylvain Grosjean1 - Patrick Hodapp1

1. Institute of Organic Chemistry, Karlsruhe Institute of Technology, Germany

Analysis DOI:
Analysis ID:
Content:   
13C NMR (125 MHz, CDCl3, ppm) δ = 152.7 (1C, Cq), 150.6 (2C, CH), 150.0 (1C, Cq), 149.3 (2C, CH), 147.3 (1C, Cq), 146.4 (1C, Cq), 139.6 (1C, Cq), 139.0 (1C, Cq), 131.9 (1C, CH), 131.4 (1C, CH), 129.5 (2C, CH), 129.4 (1C, CH), 125.7 (2C, CH), 123.6 (2C, CH), 121.8 (2C, CH), 114.9 (1C, CH).
Datasets