Dataset

19F nuclear magnetic resonance spectroscopy (19F NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C19H9F19N2O/c1-7-10(40-9-5-3-2-4-8(9)39-7)41-6-11(20,21)12(22,23)13(24,25)14(26,27)15(28,29)16(30,31)17(32,33)18(34,35)19(36,37)38/h2-5H,6H2,1H3
SMILES Cc1nc2ccccc2nc1OCC(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI Key DBMJWYDGWNZVSX-UHFFFAOYSA-N
Molecular Formula C19H9F19N2O
Exact Mass 642.257 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/DBMJWYDGWNZVSX-UHFFFAOYSA-N/CHMO0000597
License URL
Source https://www.chemotion-repository.net/inchikey/DBMJWYDGWNZVSX-UHFFFAOYSA-N/CHMO0000597
Version
Author Jérôme Klein
Maintainer Chemotion Repository
Language english
MetadataPublished 2021-12-09
Related Molecule
  • 2-methyl-3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecafluorodecoxy)quinoxaline
    • Field Value
    Measurement Technique 19F nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    162368967 PubChem
    The data in this table is sourced from UniChem at EBI.