Dataset

1H--13C heteronuclear single quantum coherence (1H-13C HSQC)

dataset for 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)

Chemical Information

molecular Image
InChI InChI=1S/C8H7ClO/c1-6-2-3-7(5-10)4-8(6)9/h2-5H,1H3
SMILES O=Cc1ccc(c(c1)Cl)C
InChI Key OJFQNFVCICBYQC-UHFFFAOYSA-N
Molecular Formula C8H7ClO
Exact Mass 154.594 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/OJFQNFVCICBYQC-UHFFFAOYSA-N/CHMO0001146
License URL
Source https://www.chemotion-repository.net/inchikey/OJFQNFVCICBYQC-UHFFFAOYSA-N/CHMO0001146
Version
Author Sylvia Vanderheiden-Schroen
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-07-05
Related Molecule
  • 3-chloro-4-methylbenzaldehyde
    • Field Value
    Measurement Technique 1H–13C heteronuclear single quantum coherence
    Measurement Variables
    Data-Source Molecule ID Data-Source
    SCHEMBL980697 SureChEMBL
    12423085 PubChem
    DTXSID80497555 EPA CompTox Dashboard
    ZINC000012956511 ZINC
    521747 eMolecules
    CB9504910 ChemicalBook
    The data in this table is sourced from UniChem at EBI.