Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C14H8F3NS/c15-14(16,17)10-6-7-12-11(8-10)18-13(19-12)9-4-2-1-3-5-9/h1-8H
SMILES FC(c1ccc2c(c1)nc(s2)c1ccccc1)(F)F
InChI Key PDVSHXSSPVXJNH-UHFFFAOYSA-N
Molecular Formula C14H8F3NS
Exact Mass 279.280 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/PDVSHXSSPVXJNH-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/PDVSHXSSPVXJNH-UHFFFAOYSA-N/CHMO0000593
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataPublished 2020-02-28
Related Molecule
  • 2-phenyl-5-(trifluoromethyl)-1,3-benzothiazole
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    53836503 PubChem: Thomson Pharma
    SCHEMBL2138665 SureChEMBL
    23031916 PubChem
    J2.632.156E Nikkaji
    The data in this table is sourced from UniChem at EBI.