Dataset

19F nuclear magnetic resonance spectroscopy (19F NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C39H21F17N6O2/c40-32(41,33(42,43)34(44,45)35(46,47)36(48,49)37(50,51)38(52,53)39(54,55)56)17-18-64-31-29(60-24-11-5-6-12-25(24)62-31)16-15-27-26(57-20-7-1-2-8-21(20)58-27)13-14-28-30(19-63)61-23-10-4-3-9-22(23)59-28/h1-16,19H,17-18H2/b14-13+,16-15+
SMILES O=Cc1nc2ccccc2nc1/C=C/c1nc2ccccc2nc1/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 BVIOUVOOSLTMGZ-ZBMVRHCNSA-N
Molecular Formula C39H21F17N6O2
Exact Mass 928.596 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/BVIOUVOOSLTMGZ-ZBMVRHCNSA-N/CHMO0000597
License URL
Source https://www.chemotion-repository.net/inchikey/BVIOUVOOSLTMGZ-ZBMVRHCNSA-N/CHMO0000597
Version
Author Jérôme Klein
Maintainer Chemotion Repository
Language english
MetadataPublished 2022-04-17
Related Molecule
  • 3-[(E)-2-[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]quinoxalin-2-yl]ethenyl]quinoxaline-2-carbaldehyde
    • Field Value
    Measurement Technique 19F nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    163197186 PubChem
    The data in this table is sourced from UniChem at EBI.