Dataset

1H--1H correlation spectroscopy (1H-1H COSY)

dataset for 1H--1H correlation spectroscopy (1H-1H COSY)

Chemical Information

molecular Image
InChI InChI=1S/C8H9ClO2/c1-10-7-3-6(9)4-8(5-7)11-2/h3-5H,1-2H3
SMILES COc1cc(OC)cc(c1)Cl
InChI Key WQHNWJBSROXROL-UHFFFAOYSA-N
Molecular Formula C8H9ClO2
Exact Mass 172.609 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/WQHNWJBSROXROL-UHFFFAOYSA-N/CHMO0001150
License URL
Source https://www.chemotion-repository.net/inchikey/WQHNWJBSROXROL-UHFFFAOYSA-N/CHMO0001150
Version
Author Alex Johnson
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-07-17
Related Molecule
  • 1-chloro-3,5-dimethoxybenzene
    • Field Value
    Measurement Technique 1H–1H correlation spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CB5358058 ChemicalBook
    MCULE-7262147291 Mcule
    488449 eMolecules
    PD020327 ProbesDrugs
    16902425 PubChem: Thomson Pharma
    7051-16-3 ACToR
    DTXSID80220784 EPA CompTox Dashboard
    J54.871E Nikkaji
    MUNPAP CCDC
    ZINC000000407003 ZINC
    81502 PubChem
    20208759 NMRShiftDB
    SCHEMBL21263 SureChEMBL
    The data in this table is sourced from UniChem at EBI.