Dataset

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

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

Chemical Information

molecular Image
InChI InChI=1S/C7H6O3/c8-4-5-1-2-6(9)7(10)3-5/h1-4,9-10H
SMILES O=Cc1ccc(c(c1)O)O
InChI Key IBGBGRVKPALMCQ-UHFFFAOYSA-N
Molecular Formula C7H6O3
Exact Mass 138.121 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/IBGBGRVKPALMCQ-UHFFFAOYSA-N/CHMO0001150
License URL
Source https://www.chemotion-repository.net/inchikey/IBGBGRVKPALMCQ-UHFFFAOYSA-N/CHMO0001150
Version
Author Grace Hunt
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-08-07
Related Molecule
  • 3,4-dihydroxybenzaldehyde
    • Field Value
    Measurement Technique 1H–1H correlation spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB11268 drugbank
    CHEBI:50205 chebi
    H6N rcsb_pdb
    CHEMBL222021 chembl
    29349539 surechembl
    36350 surechembl
    8768 pubchem
    4PVP2HCH4T fdasrs
    PD071988 probes_and_drugs
    MASBUD CCDC
    125405 brenda
    136397 brenda
    140876 brenda
    2458 brenda
    2666 brenda
    3665 brenda
    91692 brenda
    HMDB0059965 hmdb
    Molport-000-672-422 molport
    4612 drugcentral
    50192743 bindingdb
    The data in this table is sourced from UniChem at EBI.