Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Information

molecular Image
InChI InChI=1S/C49H42N6O2/c1-2-3-4-5-6-17-30-57-49-45(51-40-24-15-16-25-41(40)55-49)29-28-43-42(26-27-44-48(33-56)54-39-23-14-13-22-38(39)50-44)52-46-31-36(34-18-9-7-10-19-34)37(32-47(46)53-43)35-20-11-8-12-21-35/h7-16,18-29,31-33H,2-6,17,30H2,1H3/b27-26+,29-28+
SMILES CCCCCCCCOc1nc2ccccc2nc1/C=C/c1nc2cc(c3ccccc3)c(cc2nc1/C=C/c1nc2ccccc2nc1C=O)c1ccccc1
InChI Key DQZGBDJEKINDHT-ZDXBJJIESA-N
Molecular Formula C49H42N6O2
Exact Mass 746.897 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/DQZGBDJEKINDHT-ZDXBJJIESA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/DQZGBDJEKINDHT-ZDXBJJIESA-N/CHMO0000595
Version
Author Jérôme Klein
Maintainer Chemotion Repository
Language english
MetadataPublished 2022-04-17
Related Molecule
  • 3-[(E)-2-[3-[(E)-2-(3-octoxyquinoxalin-2-yl)ethenyl]-6,7-diphenylquinoxalin-2-yl]ethenyl]quinoxaline-2-carbaldehyde
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    163197195 PubChem
    The data in this table is sourced from UniChem at EBI.