Dataset

1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)

dataset for 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)

Chemical Information

molecular Image
InChI InChI=1S/C9H9ClO2/c1-12-9(11)8-5-3-2-4-7(8)6-10/h2-5H,6H2,1H3
SMILES COC(=O)c1ccccc1CCl
InChI Key AAHZCIWUDPKSJP-UHFFFAOYSA-N
Molecular Formula C9H9ClO2
Exact Mass 184.620 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/AAHZCIWUDPKSJP-UHFFFAOYSA-N/CHMO0001148
License URL
Source https://www.chemotion-repository.net/inchikey/AAHZCIWUDPKSJP-UHFFFAOYSA-N/CHMO0001148
Version
Author Sylvia Vanderheiden-Schroen
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-04-28
Related Molecule
  • methyl 2-(chloromethyl)benzoate
    • Field Value
    Measurement Technique 1H–13C heteronuclear multiple bond coherence
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DTXSID70187650 EPA CompTox Dashboard
    J33.620C Nikkaji
    AQL5KKV3B3 FDA SRS
    ZINC000005997560 ZINC
    CB3453856 ChemicalBook
    36729908 eMolecules
    34040-62-5 ACToR
    16069542 PubChem: Thomson Pharma
    SCHEMBL2802347 SureChEMBL
    118590 PubChem
    The data in this table is sourced from UniChem at EBI.