Dataset

correlation spectroscopy (COSY)

dataset for correlation spectroscopy (COSY)

Chemical Information

molecular Image
InChI InChI=1S/C33H28BrN/c1-21-16-22(2)29-20-31(27-4-3-5-28(34)19-27)33(35-32(29)17-21)30-18-25-11-10-23-6-8-24(9-7-23)12-14-26(30)15-13-25/h3-9,13,15-20H,10-12,14H2,1-2H3
SMILES Brc1cccc(c1)c1cc2c(C)cc(cc2nc1c1cc2CCc3ccc(CCc1cc2)cc3)C
InChI Key DAUFYDPQPDYBQV-UHFFFAOYSA-N
Molecular Formula C33H28BrN
Exact Mass 518.486 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/DAUFYDPQPDYBQV-UHFFFAOYSA-N/CHMO0000599
License URL
Source https://www.chemotion-repository.net/inchikey/DAUFYDPQPDYBQV-UHFFFAOYSA-N/CHMO0000599
Version
Author Tilman Hans Köhler
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-05-21
Related Molecule
  • 3-(3-bromophenyl)-5,7-dimethyl-2-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)quinoline
    • Field Value
    Measurement Technique correlation spectroscopy
    Measurement Variables
    title : Feb26-2024

    date : 20240226

    starting time : 12.44 h

    label : KT-759

    id : 296812

    Solvent : CD2Cl2

    temperature : 298.0 K

    PULPROG : cosygpppqf

    number of scans : 1 scans

    instrument : Avance NEO

    Data-Source Molecule ID Data-Source
    171392112 pubchem
    The data in this table is sourced from UniChem at EBI.