Dataset

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

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

Chemical Information

molecular Image
InChI InChI=1S/C7H4Cl2O/c8-6-2-1-5(4-10)3-7(6)9/h1-4H
SMILES O=Cc1ccc(c(c1)Cl)Cl
InChI Key ZWUSBSHBFFPRNE-UHFFFAOYSA-N
Molecular Formula C7H4Cl2O
Exact Mass 175.012 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/ZWUSBSHBFFPRNE-UHFFFAOYSA-N/CHMO0001150
License URL
Source https://www.chemotion-repository.net/inchikey/ZWUSBSHBFFPRNE-UHFFFAOYSA-N/CHMO0001150
Version
Author Sylvia Vanderheiden-Schroen
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-07-05
Related Molecule
  • 3,4-dichlorobenzaldehyde
    • Field Value
    Measurement Technique 1H–1H correlation spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    128276 Brenda
    30096610 NMRShiftDB
    MCULE-2921750767 Mcule
    500421 eMolecules
    15114545 PubChem: Thomson Pharma
    6287-38-3 ACToR
    SCHEMBL48577 SureChEMBL
    22710 PubChem
    CHEMBL1528012 ChEMBL
    CB8100944 ChemicalBook
    DTXSID0024971 EPA CompTox Dashboard
    ZINC000000151791 ZINC
    I6Z632WSJ5 FDA SRS
    AZIBER CCDC
    50461952 BindingDB
    J30.721A Nikkaji
    The data in this table is sourced from UniChem at EBI.