Dataset

19F nuclear magnetic resonance spectroscopy (19F NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C9H4F3N5/c10-9(11,12)7-8-14-15-16-17(8)6-4-2-1-3-5(6)13-7/h1-4H
SMILES FC(c1nc2ccccc2n2c1nnn2)(F)F
InChI Key ALUDOBBDYFOFJP-UHFFFAOYSA-N
Molecular Formula C9H4F3N5
Exact Mass 239.157 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/ALUDOBBDYFOFJP-UHFFFAOYSA-N/CHMO0000597
License URL
Source https://www.chemotion-repository.net/inchikey/ALUDOBBDYFOFJP-UHFFFAOYSA-N/CHMO0000597
Version
Author Laura Holzhauer
Maintainer Chemotion Repository
Language english
MetadataPublished 2022-02-11
Related Molecule
  • 4-(trifluoromethyl)tetrazolo[1,5-a]quinoxaline
    • Field Value
    Measurement Technique 19F nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    162623379 PubChem
    The data in this table is sourced from UniChem at EBI.