)))
New to the Repository? Check the Settings and Preparation guide. Starting your research? Review our How to provide data instructions. Learn more in How-To section, and feel free to reach out via or
Click to enable zooming
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 2025-03-14
1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
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:
Datasets