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

Formula: C8H6ClN3


Canonical SMILES:
Nc1nc2ccccc2nc1Cl
InChI:
InChI=1S/C8H6ClN3/c9-7-8(10)12-6-4-2-1-3-5(6)11-7/h1-4H,(H2,10,12)
InChIKey:
NOFJFBHOKPHILH-UHFFFAOYSA-N
Exact Mass:
Crosslinks:   


Published on 2021-11-12This work is licensed under a Creative Commons Attribution-ShareAlike 4.0 International License.

 

13C nuclear magnetic resonance spectroscopy (13C NMR) 
Author: Laura Holzhauer1

1. Institute of Biological and Chemical Systems, Karlsruhe Institute of Technology, Germany

Analysis DOI:
Analysis ID:
Content:   
13C NMR (100 MHz, CDCl3) δ = 148.9 (1C, CqCl/CqNH2), 140.8 (1C, CqCl/CqNH2), 137.4 (1C, CqN), 137.0 (1C, CqN), 130.5 (1C, CHarom), 128.0 (1C, CHarom), 125.9 (1C, CHarom), 125.6 (1C, CHarom).
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