Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C42H38N6O2/c1-41(2,3)45-39-35(43-32-18-9-11-22-47(32)39)29-16-13-17-30(36-40(46-42(4,5)6)48-23-12-10-19-33(48)44-36)34(29)25-20-21-28-31(24-25)38(50)27-15-8-7-14-26(27)37(28)49/h7-24,45-46H,1-6H3
SMILES O=C1c2ccc(cc2C(=O)c2c1cccc2)c1c(cccc1c1nc2n(c1NC(C)(C)C)cccc2)c1nc2n(c1NC(C)(C)C)cccc2
InChI Key VLUUBVCNQAEJDL-UHFFFAOYSA-N
Molecular Formula C42H38N6O2
Exact Mass 658.790 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/VLUUBVCNQAEJDL-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/VLUUBVCNQAEJDL-UHFFFAOYSA-N/CHMO0000595
Version
Author Mareen Stahlberger
Maintainer Chemotion Repository
Language english
MetadataPublished 2023-10-02
Related Molecule
  • 2-[2,6-bis[3-(tert-butylamino)imidazo[1,2-a]pyridin-2-yl]phenyl]anthracene-9,10-dione
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    168665437 PubChem
    The data in this table is sourced from UniChem at EBI.