Dataset

19F nuclear magnetic resonance spectroscopy (19F NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C8H2F2N2/c9-7-1-5(3-11)6(4-12)2-8(7)10/h1-2H
SMILES N#Cc1cc(F)c(cc1C#N)F
InChI Key KNDUBEZZKOOYMJ-UHFFFAOYSA-N
Molecular Formula C8H2F2N2
Exact Mass 164.112 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/KNDUBEZZKOOYMJ-UHFFFAOYSA-N/CHMO0000597
License URL
Source https://www.chemotion-repository.net/inchikey/KNDUBEZZKOOYMJ-UHFFFAOYSA-N/CHMO0000597
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-01-08
Related Molecule
  • 4,5-difluorobenzene-1,2-dicarbonitrile
    • Field Value
    Measurement Technique 19F nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    11960962 PubChem
    J2.689.593F Nikkaji
    CB72510289 ChemicalBook
    DTXSID10474793 EPA CompTox Dashboard
    ZINC000071791098 ZINC
    36009346 eMolecules
    17419265 PubChem: Thomson Pharma
    SCHEMBL2783854 SureChEMBL
    The data in this table is sourced from UniChem at EBI.