Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Information

molecular Image
InChI InChI=1S/C22H10F15NO/c23-16(24,15(39)38-14-9-5-4-8-13(14)11-10-12-6-2-1-3-7-12)17(25,26)18(27,28)19(29,30)20(31,32)21(33,34)22(35,36)37/h1-9H,(H,38,39)
SMILES O=C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)Nc1ccccc1C#Cc1ccccc1
InChI Key DIDKXVVGRDFZNL-UHFFFAOYSA-N
Molecular Formula C22H10F15NO
Exact Mass 589.297 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/DIDKXVVGRDFZNL-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/DIDKXVVGRDFZNL-UHFFFAOYSA-N/CHMO0000593
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-phenylethynyl)phenyl]octanamide
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    164889697 PubChem
    The data in this table is sourced from UniChem at EBI.