Dataset

correlation spectroscopy (COSY)

dataset for correlation spectroscopy (COSY)

Chemical Information

molecular Image
InChI InChI=1S/C8H7ClN2/c1-6-2-4-7(5-3-6)8(9)10-11-8/h2-5H,1H3
SMILES ClC1(N=N1)c1ccc(cc1)C
InChI Key JQJKGIDVIWRSIT-UHFFFAOYSA-N
Molecular Formula C8H7ClN2
Exact Mass 166.608 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/JQJKGIDVIWRSIT-UHFFFAOYSA-N/CHMO0000599
License URL
Source https://www.chemotion-repository.net/inchikey/JQJKGIDVIWRSIT-UHFFFAOYSA-N/CHMO0000599
Version
Author Tilman Hans Köhler
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-05-21
Related Molecule
  • 3-chloro-3-(4-methylphenyl)diazirine
    • Field Value
    Measurement Technique correlation spectroscopy
    Measurement Variables
    title : Feb14-2024

    date : 20240214

    starting time : 9.44 h

    label : KT-718

    id : 295149

    Solvent : chloroform-D1 (CDCl3)

    temperature : 298.0 K

    PULPROG : cosygpppqf

    number of scans : 1 scans

    instrument : Avance NEO

    Data-Source Molecule ID Data-Source
    11008291 pubchem
    The data in this table is sourced from UniChem at EBI.