Dataset

19F nuclear magnetic resonance spectroscopy (19F NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C19H11F17N2O/c1-8-11(38-10-5-3-2-4-9(10)37-8)39-7-6-12(20,21)13(22,23)14(24,25)15(26,27)16(28,29)17(30,31)18(32,33)19(34,35)36/h2-5H,6-7H2,1H3
SMILES Cc1nc2ccccc2nc1OCCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI Key XQQIOPIFKLYXMT-UHFFFAOYSA-N
Molecular Formula C19H11F17N2O
Exact Mass 606.276 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/XQQIOPIFKLYXMT-UHFFFAOYSA-N/CHMO0000597
License URL
Source https://www.chemotion-repository.net/inchikey/XQQIOPIFKLYXMT-UHFFFAOYSA-N/CHMO0000597
Version
Author Jérôme Klein
Maintainer Chemotion Repository
Language english
MetadataPublished 2021-12-26
Related Molecule
  • 2-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecoxy)-3-methylquinoxaline
    • Field Value
    Measurement Technique 19F nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    162369943 PubChem
    The data in this table is sourced from UniChem at EBI.