Dataset

19F nuclear magnetic resonance spectroscopy (19F NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C23H20F15NO/c1-3-5-6-7-10-14-11-8-9-12-15(14)39(13-4-2)16(40)17(24,25)18(26,27)19(28,29)20(30,31)21(32,33)22(34,35)23(36,37)38/h8-9,11-12H,3-6,13H2,1-2H3
SMILES CCCN(C(=O)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)c1ccccc1C#CCCCC
InChI Key OZZGCGQQMXWKDS-UHFFFAOYSA-N
Molecular Formula C23H20F15NO
Exact Mass 611.387 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/OZZGCGQQMXWKDS-UHFFFAOYSA-N/CHMO0000597
License URL
Source https://www.chemotion-repository.net/inchikey/OZZGCGQQMXWKDS-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-hex-1-ynylphenyl)-N-propyloctanamide
    • Field Value
    Measurement Technique 19F nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    164889682 PubChem
    The data in this table is sourced from UniChem at EBI.