Dataset

correlation spectroscopy (COSY)

dataset for correlation spectroscopy (COSY)

Chemical Information

molecular Image
InChI InChI=1S/C31H24BrN/c32-27-6-3-5-25(19-27)29-20-26-4-1-2-7-30(26)33-31(29)28-18-23-13-12-21-8-10-22(11-9-21)14-16-24(28)17-15-23/h1-11,15,17-20H,12-14,16H2
SMILES Brc1cccc(c1)c1cc2ccccc2nc1c1cc2CCc3ccc(CCc1cc2)cc3
InChI Key RBVSKEUXDKOGTQ-UHFFFAOYSA-N
Molecular Formula C31H24BrN
Exact Mass 490.433 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/RBVSKEUXDKOGTQ-UHFFFAOYSA-N/CHMO0000599
License URL
Source https://www.chemotion-repository.net/inchikey/RBVSKEUXDKOGTQ-UHFFFAOYSA-N/CHMO0000599
Version
Author Tilman Hans Köhler
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-05-21
Related Molecule
  • 3-(3-bromophenyl)-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 : Feb29-2024

    date : 20240229

    starting time : 8.17 h

    label : KT-769

    id : 297258

    Solvent : CD2Cl2

    temperature : 298.0 K

    PULPROG : cosygpppqf

    number of scans : 1 scans

    instrument : Avance NEO

    Data-Source Molecule ID Data-Source
    171392108 pubchem
    The data in this table is sourced from UniChem at EBI.