Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C6Cl4O2/c7-1-2(8)6(12)4(10)3(9)5(1)11
SMILES ClC1=C(Cl)C(=O)C(=C(C1=O)Cl)Cl
InChI Key UGNWTBMOAKPKBL-UHFFFAOYSA-N
Molecular Formula C6Cl4O2
Exact Mass 245.875 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/UGNWTBMOAKPKBL-UHFFFAOYSA-N/CHMO0000595.1
License URL
Source https://www.chemotion-repository.net/inchikey/UGNWTBMOAKPKBL-UHFFFAOYSA-N/CHMO0000595.1
Version
Author Sylvia Vanderheiden-Schroen
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-01-08
Related Molecule
  • 2,3,5,6-tetrachlorocyclohexa-2,5-diene-1,4-dione
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:36703 chebi
    CHEMBL192627 chembl
    24049 surechembl
    8371 pubchem
    01W5X7N5XV fdasrs
    PD001230 probes_and_drugs
    TCBENQ CCDC
    17691 brenda
    21386 brenda
    25527 brenda
    37385 brenda
    57467 brenda
    9564 brenda
    HMDB0250089 hmdb
    10015934 nmrshiftdb2
    Molport-000-644-415 molport
    22782 bindingdb
    The data in this table is sourced from UniChem at EBI.