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

Formula: C17H9F4N3


Canonical SMILES:
Fc1ccc(cc1)c1cnc2n1c1ccccc1nc2C(F)(F)F
InChI:
InChI=1S/C17H9F4N3/c18-11-7-5-10(6-8-11)14-9-22-16-15(17(19,20)21)23-12-3-1-2-4-13(12)24(14)16/h1-9H
InChIKey:
QRCGOTOQYUXBIH-UHFFFAOYSA-N
Exact Mass:
Crosslinks:   


Published on 2025-03-14This work is licensed under a Creative Commons Attribution 4.0 International License.

 

13C nuclear magnetic resonance spectroscopy (13C NMR) 
Authors: Kameswara Sishta1 - Laura Holzhauer1

1. Institute of Biological and Chemical Systems - Functional Molecular Systems (IBCS-FMS), Karlsruhe Institute of Technology, Germany

Analysis DOI:
Analysis ID:
Content:   
13C NMR (100 MHz, Chloroform-d [77.16 ppm], ppm) δ = 163.9 (d, J = 250.4 Hz, CF), 140.8 (q, J = 36.2 Hz, CCF3), 136.1 (CHimidazole), 135.7 (Cq), 134.9 (Cq), 132.4 (d, J = 8.5 Hz, 2C, CHphenyl), 132.1 (CHquinoxaline), 130.4 (CHquinoxaline), 130.0 (Cq), 129.2 (Cq), 127.2 (CHquinoxaline), 125.8 (d, J = 3.9 Hz, Cq), 120.6 (q, J = 276.1 Hz, CF3), 116.6 (d, J = 21.6 Hz, 2C, CHphenyl), 115.9 (CHquinoxaline). Impuritiy: 29.9 ppm (grease). Signal at 140.8 observed as a doublet due to low intensity.
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