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/C10H13ClO3/c1-12-8-4-7(6-11)5-9(13-2)10(8)14-3/h4-5H,6H2,1-3H3
SMILES COc1cc(CCl)cc(c1OC)OC
InChI Key XXRUQNNAKXZSOS-UHFFFAOYSA-N
Molecular Formula C10H13ClO3
Exact Mass 216.661 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/XXRUQNNAKXZSOS-UHFFFAOYSA-N/CHMO0001148
License URL
Source https://www.chemotion-repository.net/inchikey/XXRUQNNAKXZSOS-UHFFFAOYSA-N/CHMO0001148
Version
Author Jana Alpin
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-04-10
Related Molecule
  • 5-(chloromethyl)-1,2,3-trimethoxybenzene
    • Field Value
    Measurement Technique 1H–13C heteronuclear multiple bond coherence
    Measurement Variables
    Data-Source Molecule ID Data-Source
    532801 eMolecules
    16180066 PubChem: Thomson Pharma
    SCHEMBL1706883 SureChEMBL
    3840-30-0 ACToR
    CB2141350 ChemicalBook
    J32.102H Nikkaji
    ZINC000001662528 ZINC
    MCULE-6040766782 Mcule
    DTXSID60191741 EPA CompTox Dashboard
    77448 PubChem
    The data in this table is sourced from UniChem at EBI.