Dataset

19F nuclear magnetic resonance spectroscopy (19F NMR)

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

Chemical Info

molecular Image
InChI InChI=1S/C8H4ClFN2/c9-8-4-11-7-3-5(10)1-2-6(7)12-8/h1-4H
SMILES Fc1ccc2c(c1)ncc(n2)Cl
InChI Key QQEWXGTYYUSXII-UHFFFAOYSA-N
Exact Mass 182.582 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/QQEWXGTYYUSXII-UHFFFAOYSA-N/CHMO0000597
License URL
Source https://www.chemotion-repository.net/inchikey/QQEWXGTYYUSXII-UHFFFAOYSA-N/CHMO0000597
Version
Author Laura Holzhauer
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-03-17
Related Molecule
  • 2-chloro-6-fluoroquinoxaline
    • Field Value
    Measurement Technique CHMO:0000597
    Measurement Variables
    Data-Source Molecule ID Data-Source
    SCHEMBL1258593 SureChEMBL
    ZINC000039268603 ZINC
    12686407 PubChem
    32179354 eMolecules
    DTXSID00506875 EPA CompTox Dashboard
    CB42453747 ChemicalBook
    The data in this table is sourced from UniChem at EBI.