Dataset

19F nuclear magnetic resonance spectroscopy (19F NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C16H10F3NO/c17-16(18,19)15(21)20-14-9-5-4-8-13(14)11-10-12-6-2-1-3-7-12/h1-9H,(H,20,21)
SMILES O=C(C(F)(F)F)Nc1ccccc1C#Cc1ccccc1
InChI Key NGYWXNYZKOIHBQ-UHFFFAOYSA-N
Molecular Formula C16H10F3NO
Exact Mass 289.252 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/NGYWXNYZKOIHBQ-UHFFFAOYSA-N/CHMO0000597
License URL
Source https://www.chemotion-repository.net/inchikey/NGYWXNYZKOIHBQ-UHFFFAOYSA-N/CHMO0000597
Version
Author Helena Šimek
Maintainer Chemotion Repository
Language english
MetadataPublished 2022-09-15
Related Molecule
  • 2,2,2-trifluoro-N-[2-(2-phenylethynyl)phenyl]acetamide
    • Field Value
    Measurement Technique 19F nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DTXSID00455551 EPA CompTox Dashboard
    11109005 PubChem
    J937.319E Nikkaji
    16182616 PubChem: Thomson Pharma
    The data in this table is sourced from UniChem at EBI.