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
    69365 Brenda
    107995 Brenda
    204884 Brenda
    CB8169884 ChemicalBook
    14772704 PubChem: Thomson Pharma
    16130454 PubChem: Thomson Pharma
    615-93-0 ACToR
    PD138965 ProbesDrugs
    507553 eMolecules
    ZINC000000135776 ZINC
    BZQDCL CCDC
    CHEMBL3311439 ChEMBL
    DTXSID9060657 EPA CompTox Dashboard
    J65.481G Nikkaji
    10015939 NMRShiftDB
    MCULE-6719499202 Mcule
    SCHEMBL57290 SureChEMBL
    12011 PubChem
    The data in this table is sourced from UniChem at EBI.