Dataset

1H--1H correlation spectroscopy (1H-1H COSY)

dataset for 1H--1H correlation spectroscopy (1H-1H COSY)

Chemical Information

molecular Image
InChI InChI=1S/C6H2Cl2O2/c7-3-1-5(9)4(8)2-6(3)10/h1-2H
SMILES ClC1=CC(=O)C(=CC1=O)Cl
InChI Key LNXVNZRYYHFMEY-UHFFFAOYSA-N
Molecular Formula C6H2Cl2O2
Exact Mass 176.985 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/LNXVNZRYYHFMEY-UHFFFAOYSA-N/CHMO0001150
License URL
Source https://www.chemotion-repository.net/inchikey/LNXVNZRYYHFMEY-UHFFFAOYSA-N/CHMO0001150
Version
Author Alex Johnson
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-08-07
Related Molecule
  • 2,5-dichlorocyclohexa-2,5-diene-1,4-dione
    • Field Value
    Measurement Technique 1H–1H correlation spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL3311439 chembl
    57290 surechembl
    12011 pubchem
    PD138965 probes_and_drugs
    BZQDCL CCDC
    107995 brenda
    204884 brenda
    69365 brenda
    Molport-002-894-018 molport
    The data in this table is sourced from UniChem at EBI.