Dataset

correlation spectroscopy (COSY)

dataset for correlation spectroscopy (COSY)

Chemical Information

molecular Image
InChI InChI=1S/C11H8Br2/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10/h1-7,11H
SMILES BrC(c1ccc2c(c1)cccc2)Br
InChI Key MJZLPJYZFMSVDU-UHFFFAOYSA-N
Molecular Formula C11H8Br2
Exact Mass 299.989 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/MJZLPJYZFMSVDU-UHFFFAOYSA-N/CHMO0000599
License URL
Source https://www.chemotion-repository.net/inchikey/MJZLPJYZFMSVDU-UHFFFAOYSA-N/CHMO0000599
Version
Author Tilman Hans Köhler
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-05-21
Related Molecule
  • 2-(dibromomethyl)naphthalene
    • Field Value
    Measurement Technique correlation spectroscopy
    Measurement Variables
    title : Jan12-2024

    date : 20240112

    starting time : 15.42 h

    label : KT-644

    id : 290265

    Solvent : chloroform-D1 (CDCl3)

    temperature : 298.0 K

    PULPROG : cosygpppqf

    number of scans : 1 scans

    instrument : Avance NEO

    Data-Source Molecule ID Data-Source
    1538959 surechembl
    30559658 surechembl
    30559659 surechembl
    11150720 pubchem
    The data in this table is sourced from UniChem at EBI.