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This information is based on the molecular structure shown on the left side. For a decoupled sample, please refer to its individual details.
Formula: C8H5F3N2
Canonical SMILES: N#Cc1cccc(c1N)C(F)(F)F
InChI: InChI=1S/C8H5F3N2/c9-8(10,11)6-3-1-2-5(4-12)7(6)13/h1-3H,13H2
InChIKey: UHOSMRSMWHLHJO-UHFFFAOYSA-N
Exact Mass:
Crosslinks: 
Published on 2024-09-12
heteronuclear multiple bond coherence (HMBC)
Author: 
Simone Gräßle1,2
1. Institute of Organic Chemistry, Karlsruhe Institute of Technology, Germany
2. Institute of Biological and Chemical Systems - Functional Molecular Systems, Karlsruhe Institute of Technology, Germany
Analysis DOI:
Analysis ID:
Datasets