Dataset

1H--13C heteronuclear single quantum coherence (1H-13C HSQC)

dataset for 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)\n\n

Chemical Info

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/CHMO0001146
License URL
Source https://www.chemotion-repository.net/inchikey/IVXBGKPGZOETEW-UHFFFAOYSA-N/CHMO0001146
Version
Author Henrik Tappert
Maintainer Chemotion Repository
Language english
MetadataCreated 2025-04-26T02:02:59.416557
MetadataModified 2025-04-27T02:12:29.781294
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 1H–13C heteronuclear single quantum coherence
    Measurement Variables
    temperature : 298.0 K

    PULPROG : hsqcedetgpsisp2.3

    number of scans : 4 scans

    title : Sep19-2023

    date : 20230919

    starting time : 22.01 h

    instrument : Avance NEO

    label : HT-12

    id : 116138

    Solvent : chloroform-D1 (CDCl3)

    Data-Source Molecule ID Data-Source
    DEFGEE CCDC
    SCHEMBL17278546 SureChEMBL
    CB73309079 ChemicalBook
    118528399 PubChem
    J3.541.545I Nikkaji
    The data in this table is sourced from UniChem at EBI.