Dataset

correlation spectroscopy (COSY)

dataset for correlation spectroscopy (COSY)

Chemical Info

molecular Image
InChI InChI=1S/C7H4BrClN2/c8-6-3-1-2-5(4-6)7(9)10-11-7/h1-4H
SMILES Brc1cccc(c1)C1(Cl)N=N1
InChI Key BBNJBCHEPCEFRH-UHFFFAOYSA-N
Molecular Formula C7H4BrClN2
Exact Mass 231.477 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/BBNJBCHEPCEFRH-UHFFFAOYSA-N/CHMO0000599
License URL
Source https://www.chemotion-repository.net/inchikey/BBNJBCHEPCEFRH-UHFFFAOYSA-N/CHMO0000599
Version
Author Tilman Hans Köhler
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-05-21
Related Molecule
  • 3-(3-bromophenyl)-3-chlorodiazirine
    • Field Value
    Measurement Technique correlation spectroscopy
    Measurement Variables
    temperature : 296.7 K

    PULPROG : cosygpppqf

    number of scans : 1 scans

    title : Feb22-2024

    date : 20240222

    starting time : 9.10 h

    instrument : Avance NEO

    label : KT-749

    id : 296533

    Solvent : CD3CN

    Data-Source Molecule ID Data-Source
    No additional information available for this Dataset.