Dataset

19F nuclear magnetic resonance spectroscopy (19F NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C19H10F15NO3/c1-9(36)38-8-4-6-10-5-2-3-7-11(10)35-12(37)13(20,21)14(22,23)15(24,25)16(26,27)17(28,29)18(30,31)19(32,33)34/h2-3,5,7H,8H2,1H3,(H,35,37)
SMILES CC(=O)OCC#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 KKAMFZCXAOMPFI-UHFFFAOYSA-N
Molecular Formula C19H10F15NO3
Exact Mass 585.264 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/KKAMFZCXAOMPFI-UHFFFAOYSA-N/CHMO0000597
License URL
Source https://www.chemotion-repository.net/inchikey/KKAMFZCXAOMPFI-UHFFFAOYSA-N/CHMO0000597
Version
Author Helena Šimek
Maintainer Chemotion Repository
Language english
MetadataPublished 2022-09-15
Related Molecule
  • 3-[2-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoylamino)phenyl]prop-2-ynyl acetate
    • Field Value
    Measurement Technique 19F nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    164889730 pubchem
    The data in this table is sourced from UniChem at EBI.