Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Information

molecular Image
InChI InChI=1S/C5H4O2/c6-4-5-2-1-3-7-5/h1-4H
SMILES O=Cc1ccco1
InChI Key HYBBIBNJHNGZAN-UHFFFAOYSA-N
Molecular Formula C5H4O2
Exact Mass 96.084 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/HYBBIBNJHNGZAN-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/HYBBIBNJHNGZAN-UHFFFAOYSA-N/CHMO0000593
Version
Author Sylvia Vanderheiden-Schroen
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-07-01
Related Molecule
  • furan-2-carbaldehyde
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB16856 drugbank
    FU2 rcsb_pdb
    CHEMBL189362 chembl
    20439 surechembl
    7362 pubchem
    DJ1HGI319P fdasrs
    CHEBI:34768 rhea
    PD124142 probes_and_drugs
    ZOGQEU CCDC
    106107 brenda
    11498 brenda
    123759 brenda
    140092 brenda
    148305 brenda
    20597 brenda
    21604 brenda
    32223 brenda
    49066 brenda
    5969 brenda
    6118 brenda
    91034 brenda
    95728 brenda
    HMDB0032914 hmdb
    Molport-000-871-210 molport
    50486229 bindingdb
    The data in this table is sourced from UniChem at EBI.