Dataset

19F nuclear magnetic resonance spectroscopy (19F NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C29H15F17N4O2/c30-22(31,23(32,33)24(34,35)25(36,37)26(38,39)27(40,41)28(42,43)29(44,45)46)11-12-52-21-19(48-16-7-3-4-8-17(16)50-21)10-9-18-20(13-51)49-15-6-2-1-5-14(15)47-18/h1-10,13H,11-12H2/b10-9+
SMILES O=Cc1nc2ccccc2nc1/C=C/c1nc2ccccc2nc1OCCC(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 RXWYWMJYBWVIPF-MDZDMXLPSA-N
Molecular Formula C29H15F17N4O2
Exact Mass 774.428 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/RXWYWMJYBWVIPF-MDZDMXLPSA-N/CHMO0000597
License URL
Source https://www.chemotion-repository.net/inchikey/RXWYWMJYBWVIPF-MDZDMXLPSA-N/CHMO0000597
Version
Author Jérôme Klein
Maintainer Chemotion Repository
Language english
MetadataPublished 2022-04-17
Related Molecule
  • 3-[(E)-2-[3-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecoxy)quinoxalin-2-yl]ethenyl]quinoxaline-2-carbaldehyde
    • Field Value
    Measurement Technique 19F nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    163197196 PubChem
    The data in this table is sourced from UniChem at EBI.