Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C36H28N4/c1-36(2)29-17-9-11-19-31(29)40(32-20-12-10-18-30(32)36)28-23-21-27(22-24-28)35-38-33(25-13-5-3-6-14-25)37-34(39-35)26-15-7-4-8-16-26/h3-24H,1-2H3
SMILES CC1(C)c2ccccc2N(c2c1cccc2)c1ccc(cc1)c1nc(nc(n1)c1ccccc1)c1ccccc1
InChI Key IVXBGKPGZOETEW-UHFFFAOYSA-N
Molecular Formula C36H28N4
Exact Mass 516.634 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/IVXBGKPGZOETEW-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/IVXBGKPGZOETEW-UHFFFAOYSA-N/CHMO0000595
Version
Author Henrik Tappert
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-04-22
Related Molecule
  • 10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-dimethylacridine
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Title : Sep19-2023

    Date : 20230919

    Start time : 21.05 h

    Label : HT-1133

    ID : 274862

    Solvent : chloroform-D1 (CDCl3)

    Temperature : 298.0 K K

    Puls programme : zgpg30

    Number of scans : 1024

    Instrument : Avance NEO

    Data-Source Molecule ID Data-Source
    17278546 surechembl
    29397786 surechembl
    118528399 pubchem
    DEFGEE CCDC
    Molport-051-721-748 molport
    The data in this table is sourced from UniChem at EBI.