Dataset

19F nuclear magnetic resonance spectroscopy (19F NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C16H12F3NOS/c1-2-21-12-6-3-10(4-7-12)15-20-13-9-11(16(17,18)19)5-8-14(13)22-15/h3-9H,2H2,1H3
SMILES CCOc1ccc(cc1)c1nc2c(s1)ccc(c2)C(F)(F)F
InChI Key NISURZRTIYSNSA-UHFFFAOYSA-N
Molecular Formula C16H12F3NOS
Exact Mass 323.333 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/NISURZRTIYSNSA-UHFFFAOYSA-N/CHMO0000597
License URL
Source https://www.chemotion-repository.net/inchikey/NISURZRTIYSNSA-UHFFFAOYSA-N/CHMO0000597
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataPublished 2020-02-28
Related Molecule
  • 2-(4-ethoxyphenyl)-5-(trifluoromethyl)-1,3-benzothiazole
    • Field Value
    Measurement Technique 19F nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    145944369 PubChem
    The data in this table is sourced from UniChem at EBI.