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/c1-7-2-3-11-12(4-7)19-14(18-11)8-5-9(15)13(17)10(16)6-8/h2-6H,1H3
SMILES Cc1ccc2c(c1)sc(n2)c1cc(F)c(c(c1)F)F
InChI Key KGPPSSIWSDMFRL-UHFFFAOYSA-N
Molecular Formula C14H8F3NS
Exact Mass 279.280 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/KGPPSSIWSDMFRL-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/KGPPSSIWSDMFRL-UHFFFAOYSA-N/CHMO0000593
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataPublished 2020-02-28
Related Molecule
  • 6-methyl-2-(3,4,5-trifluorophenyl)-1,3-benzothiazole
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    138453429 PubChem
    The data in this table is sourced from UniChem at EBI.