Dataset

19F nuclear magnetic resonance spectroscopy (19F NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C17H20F2N6/c1-11(2)25(12(3)4)23-22-17-14(8-20)9-21-24(17)10-13-5-15(18)7-16(19)6-13/h5-7,9,11-12H,10H2,1-4H3/b23-22+
SMILES CC(N(C(C)C)/N=N/c1n(ncc1C#N)Cc1cc(F)cc(c1)F)C
InChI Key ZFEWCQZPKGQXCJ-GHVJWSGMSA-N
Molecular Formula C17H20F2N6
Exact Mass 346.378 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/ZFEWCQZPKGQXCJ-GHVJWSGMSA-N/CHMO0000597
License URL
Source https://www.chemotion-repository.net/inchikey/ZFEWCQZPKGQXCJ-GHVJWSGMSA-N/CHMO0000597
Version
Author Nicolai Wippert
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-02-14
Related Molecule
  • 1-[(3,5-difluorophenyl)methyl]-5-[(E)-[di(propan-2-yl)amino]diazenyl]pyrazole-4-carbonitrile
    • Field Value
    Measurement Technique 19F nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    155928572 PubChem
    MARZEO CCDC
    The data in this table is sourced from UniChem at EBI.