Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Information

molecular Image
InChI InChI=1S/C14H10FNS/c1-9-2-7-12-13(8-9)17-14(16-12)10-3-5-11(15)6-4-10/h2-8H,1H3
SMILES Fc1ccc(cc1)c1nc2c(s1)cc(cc2)C
InChI Key PQNMDYKEGIJCTR-UHFFFAOYSA-N
Molecular Formula C14H10FNS
Exact Mass 243.299 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/PQNMDYKEGIJCTR-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/PQNMDYKEGIJCTR-UHFFFAOYSA-N/CHMO0000593
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataPublished 2020-02-28
Related Molecule
  • 2-(4-fluorophenyl)-6-methyl-1,3-benzothiazole
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    ZINC000040848194 ZINC
    57585560 PubChem: Thomson Pharma
    25233596 PubChem
    CHEMBL510384 ChEMBL
    50479543 BindingDB
    The data in this table is sourced from UniChem at EBI.