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/C5H4O2/c6-3-5-1-2-7-4-5/h1-4H
SMILES O=Cc1cocc1
InChI Key AZVSIHIBYRHSLB-UHFFFAOYSA-N
Molecular Formula C5H4O2
Exact Mass 96.084 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/AZVSIHIBYRHSLB-UHFFFAOYSA-N/CHMO0001146
License URL
Source https://www.chemotion-repository.net/inchikey/AZVSIHIBYRHSLB-UHFFFAOYSA-N/CHMO0001146
Version
Author Sylvia Vanderheiden-Schroen
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-06-26
Related Molecule
  • furan-3-carbaldehyde
    • Field Value
    Measurement Technique 1H–13C heteronuclear single quantum coherence
    Measurement Variables
    Data-Source Molecule ID Data-Source
    MTBLC87609 Metabolights
    55501 Brenda
    23843 Brenda
    CB0740540 ChemicalBook
    120728 Brenda
    494170 eMolecules
    15461794 PubChem: Thomson Pharma
    498-60-2 ACToR
    POB632X444 FDA SRS
    PD157968 ProbesDrugs
    87609 ChEBI
    50486228 BindingDB
    HY-76224 MedChemExpress
    J95.449G Nikkaji
    DTXSID40198076 EPA CompTox Dashboard
    ZINC000002040441 ZINC
    CHEMBL2228160 ChEMBL
    SCHEMBL133204 SureChEMBL
    10351 PubChem
    20026153 NMRShiftDB
    The data in this table is sourced from UniChem at EBI.