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/C2H4O3/c3-1-2(4)5/h3H,1H2,(H,4,5)
SMILES OCC(=O)O
InChI Key AEMRFAOFKBGASW-UHFFFAOYSA-N
Molecular Formula C2H4O3
Exact Mass 76.051 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/AEMRFAOFKBGASW-UHFFFAOYSA-N/CHMO0001146
License URL
Source https://www.chemotion-repository.net/inchikey/AEMRFAOFKBGASW-UHFFFAOYSA-N/CHMO0001146
Version
Author Jana Barylko
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-06-27
Related Molecule
  • 2-hydroxyacetic acid
    • Field Value
    Measurement Technique 1H–13C heteronuclear single quantum coherence
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB03085 drugbank
    CHEBI:17497 chebi
    GOA rcsb_pdb
    CHEMBL252557 chembl
    1222 surechembl
    3698251 pubchem
    757 pubchem
    0WT12SX38S fdasrs
    PD007399 probes_and_drugs
    GLICAC CCDC
    207315 brenda
    31683 brenda
    31684 brenda
    4251 brenda
    479 brenda
    HMDB0000115 hmdb
    Molport-000-871-981 molport
    4645 drugcentral
    The data in this table is sourced from UniChem at EBI.