Dataset

correlation spectroscopy (COSY)

dataset for correlation spectroscopy (COSY)

Chemical Information

molecular Image
InChI InChI=1S/C6H4ClN3/c7-6(9-10-6)5-2-1-3-8-4-5/h1-4H
SMILES ClC1(N=N1)c1cccnc1
InChI Key WODWTZPLHOCIRG-UHFFFAOYSA-N
Molecular Formula C6H4ClN3
Exact Mass 153.569 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/WODWTZPLHOCIRG-UHFFFAOYSA-N/CHMO0000599
License URL
Source https://www.chemotion-repository.net/inchikey/WODWTZPLHOCIRG-UHFFFAOYSA-N/CHMO0000599
Version
Author Tilman Hans Köhler
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-05-21
Related Molecule
  • 3-(3-chlorodiazirin-3-yl)pyridine
    • Field Value
    Measurement Technique correlation spectroscopy
    Measurement Variables
    title : Mar28-2024

    date : 20240328

    starting time : 16.06 h

    label : KT-671

    id : 291713

    Solvent : chloroform-D1 (CDCl3)

    temperature : 298.0 K

    PULPROG : cosygpppqf

    number of scans : 1 scans

    instrument : Avance NEO

    Data-Source Molecule ID Data-Source
    J315.105K Nikkaji
    14590724 PubChem
    SCHEMBL9631612 SureChEMBL
    The data in this table is sourced from UniChem at EBI.