Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Information

molecular Image
InChI InChI=1S/C8H6Cl2O/c1-5(11)6-2-3-7(9)8(10)4-6/h2-4H,1H3
SMILES CC(=O)c1ccc(c(c1)Cl)Cl
InChI Key WBPAOUHWPONFEQ-UHFFFAOYSA-N
Molecular Formula C8H6Cl2O
Exact Mass 189.039 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/WBPAOUHWPONFEQ-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/WBPAOUHWPONFEQ-UHFFFAOYSA-N/CHMO0000595
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-04-24
Related Molecule
  • 1-(3,4-dichlorophenyl)ethanone
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL4640796 chembl
    29655535 surechembl
    313211 surechembl
    8478583 surechembl
    75841 pubchem
    YIFDUN CCDC
    Molport-000-871-226 molport
    The data in this table is sourced from UniChem at EBI.