Dataset

19F nuclear magnetic resonance spectroscopy (19F NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C13H8FNS/c14-10-7-5-9(6-8-10)13-15-11-3-1-2-4-12(11)16-13/h1-8H
SMILES Fc1ccc(cc1)c1nc2c(s1)cccc2
InChI Key MWIDLEVLPMTJDU-UHFFFAOYSA-N
Molecular Formula C13H8FNS
Exact Mass 229.273 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/MWIDLEVLPMTJDU-UHFFFAOYSA-N/CHMO0000597
License URL
Source https://www.chemotion-repository.net/inchikey/MWIDLEVLPMTJDU-UHFFFAOYSA-N/CHMO0000597
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataPublished 2020-02-28
Related Molecule
  • 2-(4-fluorophenyl)-1,3-benzothiazole
    • Field Value
    Measurement Technique 19F nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    242879 PubChem
    MCULE-3690427086 Mcule
    CHEMBL1908905 ChEMBL
    1629-26-1 ACToR
    1830780 eMolecules
    16192543 PubChem: Thomson Pharma
    SCHEMBL562905 SureChEMBL
    J1.834.640K Nikkaji
    ZINC000000507650 ZINC
    DTXSID20287634 EPA CompTox Dashboard
    The data in this table is sourced from UniChem at EBI.