Dataset

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

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

Chemical Information

molecular Image
InChI InChI=1S/C8H8O2/c1-10-8-4-2-3-7(5-8)6-9/h2-6H,1H3
SMILES COc1cccc(c1)C=O
InChI Key WMPDAIZRQDCGFH-UHFFFAOYSA-N
Molecular Formula C8H8O2
Exact Mass 136.148 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/WMPDAIZRQDCGFH-UHFFFAOYSA-N/CHMO0001150
License URL
Source https://www.chemotion-repository.net/inchikey/WMPDAIZRQDCGFH-UHFFFAOYSA-N/CHMO0001150
Version
Author Grace Hunt
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-07-15
Related Molecule
  • 3-methoxybenzaldehyde
    • Field Value
    Measurement Technique 1H–1H correlation spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    11569 PubChem
    PD158250 ProbesDrugs
    591-31-1 ACToR
    14891543 PubChem: Thomson Pharma
    5991-31-1 ACToR
    SCHEMBL23188 SureChEMBL
    480395 eMolecules
    137005 Brenda
    11137 Brenda
    HMDB0031459 Human Metabolome Database
    CB9729111 ChemicalBook
    136805 ChEBI
    MTBLC136805 Metabolights
    91497 Brenda
    32673 Brenda
    124430 Brenda
    1856 Brenda
    34541 Brenda
    140996 Brenda
    10024789 NMRShiftDB
    8ZAO7S0IVH FDA SRS
    MCULE-4954380096 Mcule
    CHEMBL22585 ChEMBL
    HY-W007346 MedChemExpress
    J6.757A Nikkaji
    ZINC000001676373 ZINC
    DTXSID5044447 EPA CompTox Dashboard
    The data in this table is sourced from UniChem at EBI.