Dataset

correlation spectroscopy (COSY)

dataset for correlation spectroscopy (COSY)

Chemical Info

molecular Image
InChI InChI=1S/C7H4BrClN2/c8-6-3-1-5(2-4-6)7(9)10-11-7/h1-4H
SMILES ClC1(N=N1)c1ccc(cc1)Br
InChI Key RULCXVAUZIXNGP-UHFFFAOYSA-N
Molecular Formula C7H4BrClN2
Exact Mass 231.477 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/RULCXVAUZIXNGP-UHFFFAOYSA-N/CHMO0000599
License URL
Source https://www.chemotion-repository.net/inchikey/RULCXVAUZIXNGP-UHFFFAOYSA-N/CHMO0000599
Version
Author Tilman Hans Köhler
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-05-21
Related Molecule
  • 3-(4-bromophenyl)-3-chlorodiazirine
    • Field Value
    Measurement Technique correlation spectroscopy
    Measurement Variables
    temperature : 298.0 K

    PULPROG : cosygpppqf

    number of scans : 1 scans

    title : Feb02-2024

    date : 20240202

    starting time : 17.30 h

    instrument : Avance NEO

    label : KT-697

    id : 293781

    Solvent : chloroform-D1 (CDCl3)

    Data-Source Molecule ID Data-Source
    21723954 PubChem
    The data in this table is sourced from UniChem at EBI.