Dataset

19F nuclear magnetic resonance spectroscopy (19F NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C39H36F2N4O/c1-3-4-5-6-7-10-23-46-39-36(44-34-11-8-9-12-35(34)45-39)22-21-33-26(2)42-37-24-31(27-13-17-29(40)18-14-27)32(25-38(37)43-33)28-15-19-30(41)20-16-28/h8-9,11-22,24-25H,3-7,10,23H2,1-2H3/b22-21+
SMILES CCCCCCCCOc1nc2ccccc2nc1/C=C/c1nc2cc(c3ccc(cc3)F)c(cc2nc1C)c1ccc(cc1)F
InChI Key AGOIKVNHWRZZME-QURGRASLSA-N
Molecular Formula C39H36F2N4O
Exact Mass 614.726 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/AGOIKVNHWRZZME-QURGRASLSA-N/CHMO0000597
License URL
Source https://www.chemotion-repository.net/inchikey/AGOIKVNHWRZZME-QURGRASLSA-N/CHMO0000597
Version
Author Jérôme Klein
Maintainer Chemotion Repository
Language english
MetadataPublished 2022-04-17
Related Molecule
  • 6,7-bis(4-fluorophenyl)-2-methyl-3-[(E)-2-(3-octoxyquinoxalin-2-yl)ethenyl]quinoxaline
    • Field Value
    Measurement Technique 19F nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    163197199 PubChem
    The data in this table is sourced from UniChem at EBI.