Dataset

19F nuclear magnetic resonance spectroscopy (19F NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C22H9F16NO/c23-13-9-6-11(7-10-13)5-8-12-3-1-2-4-14(12)39-15(40)16(24,25)17(26,27)18(28,29)19(30,31)20(32,33)21(34,35)22(36,37)38/h1-4,6-7,9-10H,(H,39,40)
SMILES Fc1ccc(cc1)C#Cc1ccccc1NC(=O)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI Key HVVWWEPETAXCGG-UHFFFAOYSA-N
Molecular Formula C22H9F16NO
Exact Mass 607.287 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/HVVWWEPETAXCGG-UHFFFAOYSA-N/CHMO0000597
License URL
Source https://www.chemotion-repository.net/inchikey/HVVWWEPETAXCGG-UHFFFAOYSA-N/CHMO0000597
Version
Author Helena Šimek
Maintainer Chemotion Repository
Language english
MetadataPublished 2022-09-15
Related Molecule
  • 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-[2-[2-(4-fluorophenyl)ethynyl]phenyl]octanamide
    • Field Value
    Measurement Technique 19F nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    164889727 pubchem
    The data in this table is sourced from UniChem at EBI.