Dataset

19F nuclear magnetic resonance spectroscopy (19F NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C61H50F2N6O/c1-3-4-5-6-7-16-35-70-61-56(66-52-21-14-15-22-53(52)69-61)34-33-55-54(67-59-37-47(41-17-10-8-11-18-41)48(38-60(59)68-55)42-19-12-9-13-20-42)32-31-51-40(2)64-57-36-49(43-23-27-45(62)28-24-43)50(39-58(57)65-51)44-25-29-46(63)30-26-44/h8-15,17-34,36-39H,3-7,16,35H2,1-2H3/b32-31+,34-33+
SMILES CCCCCCCCOc1nc2ccccc2nc1/C=C/c1nc2cc(c3ccccc3)c(cc2nc1/C=C/c1nc2cc(c3ccc(cc3)F)c(cc2nc1C)c1ccc(cc1)F)c1ccccc1
InChI Key UDQXKIJWNFBTCY-HSBKYFPUSA-N
Molecular Formula C61H50F2N6O
Exact Mass 921.086 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/UDQXKIJWNFBTCY-HSBKYFPUSA-N/CHMO0000597
License URL
Source https://www.chemotion-repository.net/inchikey/UDQXKIJWNFBTCY-HSBKYFPUSA-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-[(E)-2-(3-octoxyquinoxalin-2-yl)ethenyl]-6,7-diphenylquinoxalin-2-yl]ethenyl]quinoxaline
    • Field Value
    Measurement Technique 19F nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    163197194 PubChem
    The data in this table is sourced from UniChem at EBI.