Dataset

19F nuclear magnetic resonance spectroscopy (19F NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C14H11F3IN/c15-14(16,17)11-7-5-10(6-8-11)9-19-13-4-2-1-3-12(13)18/h1-8,19H,9H2
SMILES Ic1ccccc1NCc1ccc(cc1)C(F)(F)F
InChI Key LETIJSOCWBFPLK-UHFFFAOYSA-N
Molecular Formula C14H11F3IN
Exact Mass 377.144 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/LETIJSOCWBFPLK-UHFFFAOYSA-N/CHMO0000597
License URL
Source https://www.chemotion-repository.net/inchikey/LETIJSOCWBFPLK-UHFFFAOYSA-N/CHMO0000597
Version
Author Helena Šimek
Maintainer Chemotion Repository
Language english
MetadataPublished 2020-02-03
Related Molecule
  • 2-iodo-N-[[4-(trifluoromethyl)phenyl]methyl]aniline
    • Field Value
    Measurement Technique 19F nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    28978200 PubChem
    The data in this table is sourced from UniChem at EBI.