Dataset

correlation spectroscopy (COSY)

dataset for correlation spectroscopy (COSY)

Chemical Information

molecular Image
InChI InChI=1S/C10H7Br/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H
SMILES Brc1cccc2c1cccc2
InChI Key DLKQHBOKULLWDQ-UHFFFAOYSA-N
Molecular Formula C10H7Br
Exact Mass 207.067 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/DLKQHBOKULLWDQ-UHFFFAOYSA-N/CHMO0000599
License URL
Source https://www.chemotion-repository.net/inchikey/DLKQHBOKULLWDQ-UHFFFAOYSA-N/CHMO0000599
Version
Author Fabian Schönle
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-05-15
Related Molecule
  • 1-bromonaphthalene
    • Field Value
    Measurement Technique correlation spectroscopy
    Measurement Variables
    title : FAS-1-Br-Naphthalin

    date : 20240426

    starting time : 15.34 h

    label : FAS-16

    id : 115907

    Solvent : chloroform-D1 (CDCl3)

    temperature : 300.0 K

    PULPROG : cosygpppqf

    number of scans : 1 scans

    instrument : spect

    Data-Source Molecule ID Data-Source
    29405063 surechembl
    29903148 surechembl
    69629 surechembl
    7001 pubchem
    976Y53P08P fdasrs
    DECPUZ CCDC
    Molport-000-875-336 molport
    The data in this table is sourced from UniChem at EBI.