Dataset

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

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

Chemical Information

molecular Image
InChI InChI=1S/C36H27BrN4/c1-36(2)29-15-9-10-16-31(29)41(32-22-19-27(37)23-30(32)36)28-20-17-26(18-21-28)35-39-33(24-11-5-3-6-12-24)38-34(40-35)25-13-7-4-8-14-25/h3-23H,1-2H3
SMILES Brc1ccc2c(c1)C(C)(C)c1c(N2c2ccc(cc2)c2nc(nc(n2)c2ccccc2)c2ccccc2)cccc1
InChI Key QDIRQRCGOTXLOJ-UHFFFAOYSA-N
Molecular Formula C36H27BrN4
Exact Mass 595.530 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/QDIRQRCGOTXLOJ-UHFFFAOYSA-N/CHMO0001146
License URL
Source https://www.chemotion-repository.net/inchikey/QDIRQRCGOTXLOJ-UHFFFAOYSA-N/CHMO0001146
Version
Author Henrik Tappert
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-04-22
Related Molecule
  • 2-bromo-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
    title : Aug28-2023

    date : 20230829

    starting time : 5.44 h

    label : HT-21

    id : 116147

    Solvent : chloroform-D1 (CDCl3)

    temperature : 298.0 K

    PULPROG : hsqcedetgpsisp2.3

    number of scans : 4 scans

    instrument : Avance NEO

    Data-Source Molecule ID Data-Source
    172991970 pubchem
    The data in this table is sourced from UniChem at EBI.