Dataset

19F nuclear magnetic resonance spectroscopy (19F NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C28H9F10NO2/c29-17-15(18(30)22(34)25(37)21(17)33)27(40)39(28(41)16-19(31)23(35)26(38)24(36)20(16)32)14-9-5-4-8-13(14)11-10-12-6-2-1-3-7-12/h1-9H
SMILES O=C(c1c(F)c(F)c(c(c1F)F)F)N(C(=O)c1c(F)c(F)c(c(c1F)F)F)c1ccccc1C#Cc1ccccc1
InChI Key HBYVPGCFLSYJNB-UHFFFAOYSA-N
Molecular Formula C28H9F10NO2
Exact Mass 581.361 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/HBYVPGCFLSYJNB-UHFFFAOYSA-N/CHMO0000597
License URL
Source https://www.chemotion-repository.net/inchikey/HBYVPGCFLSYJNB-UHFFFAOYSA-N/CHMO0000597
Version
Author Helena Šimek
Maintainer Chemotion Repository
Language english
MetadataPublished 2022-09-15
Related Molecule
  • 2,3,4,5,6-pentafluoro-N-(2,3,4,5,6-pentafluorobenzoyl)-N-[2-(2-phenylethynyl)phenyl]benzamide
    • Field Value
    Measurement Technique 19F nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    164889691 PubChem
    The data in this table is sourced from UniChem at EBI.