Dataset

19F nuclear magnetic resonance spectroscopy (19F NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C14H10FN/c15-13-9-6-11(7-10-13)5-8-12-3-1-2-4-14(12)16/h1-4,6-7,9-10H,16H2
SMILES Fc1ccc(cc1)C#Cc1ccccc1N
InChI Key TUKBDCKEFZMYLE-UHFFFAOYSA-N
Molecular Formula C14H10FN
Exact Mass 211.234 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/TUKBDCKEFZMYLE-UHFFFAOYSA-N/CHMO0000597.2
License URL
Source https://www.chemotion-repository.net/inchikey/TUKBDCKEFZMYLE-UHFFFAOYSA-N/CHMO0000597.2
Version
Author Helena Šimek
Maintainer Chemotion Repository
Language english
MetadataPublished 2022-01-10
Related Molecule
  • 2-[2-(4-fluorophenyl)ethynyl]aniline
    • Field Value
    Measurement Technique 19F nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    ZINC000167708970 ZINC
    SCHEMBL17469612 SureChEMBL
    21686225 PubChem
    The data in this table is sourced from UniChem at EBI.