Dataset

19F nuclear magnetic resonance spectroscopy (19F NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C22H14F3NO/c23-22(24,25)19-12-6-5-11-18(19)21(27)26-20-13-7-4-10-17(20)15-14-16-8-2-1-3-9-16/h1-13H,(H,26,27)
SMILES O=C(c1ccccc1C(F)(F)F)Nc1ccccc1C#Cc1ccccc1
InChI Key VTMRKJSIECOFJL-UHFFFAOYSA-N
Molecular Formula C22H14F3NO
Exact Mass 365.348 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/VTMRKJSIECOFJL-UHFFFAOYSA-N/CHMO0000597
License URL
Source https://www.chemotion-repository.net/inchikey/VTMRKJSIECOFJL-UHFFFAOYSA-N/CHMO0000597
Version
Author Helena Šimek
Maintainer Chemotion Repository
Language english
MetadataPublished 2022-12-19
Related Molecule
  • N-[2-(2-phenylethynyl)phenyl]-2-(trifluoromethyl)benzamide
    • Field Value
    Measurement Technique 19F nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    166175712 pubchem
    The data in this table is sourced from UniChem at EBI.