Dataset

19F nuclear magnetic resonance spectroscopy (19F NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C15H11FN6O2/c1-24-15(23)13-9-22(20-18-13)14-11(6-17)8-21(19-14)7-10-2-4-12(16)5-3-10/h2-5,8-9H,7H2,1H3
SMILES COC(=O)c1nnn(c1)c1nn(cc1C#N)Cc1ccc(cc1)F
InChI Key UUNQVGVZWMJXOZ-UHFFFAOYSA-N
Molecular Formula C15H11FN6O2
Exact Mass 326.285 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/UUNQVGVZWMJXOZ-UHFFFAOYSA-N/CHMO0000597
License URL
Source https://www.chemotion-repository.net/inchikey/UUNQVGVZWMJXOZ-UHFFFAOYSA-N/CHMO0000597
Version
Author Nicolai Wippert
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-02-14
Related Molecule
  • methyl 1-[4-cyano-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]triazole-4-carboxylate
    • Field Value
    Measurement Technique 19F nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    170459354 pubchem
    The data in this table is sourced from UniChem at EBI.