Dataset

19F nuclear magnetic resonance spectroscopy (19F NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C13H11F2N5O2/c1-2-22-13(21)11-7-20(18-12(11)17-19-16)6-8-3-9(14)5-10(15)4-8/h3-5,7H,2,6H2,1H3
SMILES CCOC(=O)c1cn(nc1N=[N+]=[N-])Cc1cc(F)cc(c1)F
InChI Key BZRWHBSLSABJOL-UHFFFAOYSA-N
Molecular Formula C13H11F2N5O2
Exact Mass 307.256 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/BZRWHBSLSABJOL-UHFFFAOYSA-N/CHMO0000597
License URL
Source https://www.chemotion-repository.net/inchikey/BZRWHBSLSABJOL-UHFFFAOYSA-N/CHMO0000597
Version
Author Nicolai Wippert
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-02-14
Related Molecule
  • ethyl 3-azido-1-[(3,5-difluorophenyl)methyl]pyrazole-4-carboxylate
    • Field Value
    Measurement Technique 19F nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    170459300 pubchem
    The data in this table is sourced from UniChem at EBI.