Dataset

19F nuclear magnetic resonance spectroscopy (19F NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C11H7FN6/c12-10-3-1-8(2-4-10)6-18-7-9(5-13)11(16-18)15-17-14/h1-4,7H,6H2
SMILES [N-]=[N+]=Nc1nn(cc1C#N)Cc1ccc(cc1)F
InChI Key KJPMFOGUNJZONN-UHFFFAOYSA-N
Molecular Formula C11H7FN6
Exact Mass 242.212 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/KJPMFOGUNJZONN-UHFFFAOYSA-N/CHMO0000597
License URL
Source https://www.chemotion-repository.net/inchikey/KJPMFOGUNJZONN-UHFFFAOYSA-N/CHMO0000597
Version
Author Nicolai Wippert
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-02-14
Related Molecule
  • 3-azido-1-[(4-fluorophenyl)methyl]pyrazole-4-carbonitrile
    • Field Value
    Measurement Technique 19F nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    170459293 pubchem
    The data in this table is sourced from UniChem at EBI.