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/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/CHMO0001146
License URL
Source https://www.chemotion-repository.net/inchikey/XXRUQNNAKXZSOS-UHFFFAOYSA-N/CHMO0001146
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 single quantum coherence
    Measurement Variables
    Data-Source Molecule ID Data-Source
    1706883 surechembl
    77448 pubchem
    Molport-000-159-265 molport
    The data in this table is sourced from UniChem at EBI.