Dataset

19F nuclear magnetic resonance spectroscopy (19F NMR)

dataset for 19F nuclear magnetic resonance spectroscopy (19F NMR)

Chemical Information

molecular Image
InChI InChI=1S/C8H4ClFN2/c9-8-4-11-6-2-1-5(10)3-7(6)12-8/h1-4H
SMILES Fc1ccc2c(c1)nc(cn2)Cl
InChI Key HXGARDJKGRYPNY-UHFFFAOYSA-N
Exact Mass 182.582 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/HXGARDJKGRYPNY-UHFFFAOYSA-N/CHMO0000597
License URL
Source https://www.chemotion-repository.net/inchikey/HXGARDJKGRYPNY-UHFFFAOYSA-N/CHMO0000597
Version
Author Laura Holzhauer
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-03-17
Related Molecule
  • 2-chloro-7-fluoroquinoxaline
    • Field Value
    Measurement Technique 19F nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DTXSID60855795 EPA CompTox Dashboard
    ZINC000091297130 ZINC
    SCHEMBL621353 SureChEMBL
    71463961 PubChem
    The data in this table is sourced from UniChem at EBI.