Dataset

19F nuclear magnetic resonance spectroscopy (19F NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C23H12F15NO2/c1-41-14-10-7-12(8-11-14)6-9-13-4-2-3-5-15(13)39-16(40)17(24,25)18(26,27)19(28,29)20(30,31)21(32,33)22(34,35)23(36,37)38/h2-5,7-8,10-11H,1H3,(H,39,40)
SMILES COc1ccc(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 JAVCPWWJHCJLJQ-UHFFFAOYSA-N
Molecular Formula C23H12F15NO2
Exact Mass 619.323 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/JAVCPWWJHCJLJQ-UHFFFAOYSA-N/CHMO0000597
License URL
Source https://www.chemotion-repository.net/inchikey/JAVCPWWJHCJLJQ-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-methoxyphenyl)ethynyl]phenyl]octanamide
    • Field Value
    Measurement Technique 19F nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    164889729 PubChem
    The data in this table is sourced from UniChem at EBI.