Dataset

19F nuclear magnetic resonance spectroscopy (19F NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C13H4F5N/c14-9-8(7-3-1-6(5-19)2-4-7)10(15)12(17)13(18)11(9)16/h1-4H
SMILES N#Cc1ccc(cc1)c1c(F)c(F)c(c(c1F)F)F
InChI Key LHUKISKVNWDUAO-UHFFFAOYSA-N
Molecular Formula C13H4F5N
Exact Mass 269.170 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/LHUKISKVNWDUAO-UHFFFAOYSA-N/CHMO0000597
License URL
Source https://www.chemotion-repository.net/inchikey/LHUKISKVNWDUAO-UHFFFAOYSA-N/CHMO0000597
Version
Author Céline Leonhardt
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-04-22
Related Molecule
  • 4-(2,3,4,5,6-pentafluorophenyl)benzonitrile
    • Field Value
    Measurement Technique 19F nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    49712516 PubChem: Thomson Pharma
    SCHEMBL4147130 SureChEMBL
    J940.916E Nikkaji
    20099990 PubChem
    The data in this table is sourced from UniChem at EBI.