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/C8H6O2/c9-5-7-2-1-3-8(4-7)6-10/h1-6H
SMILES O=Cc1cccc(c1)C=O
InChI Key IZALUMVGBVKPJD-UHFFFAOYSA-N
Molecular Formula C8H6O2
Exact Mass 134.132 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/IZALUMVGBVKPJD-UHFFFAOYSA-N/CHMO0001146
License URL
Source https://www.chemotion-repository.net/inchikey/IZALUMVGBVKPJD-UHFFFAOYSA-N/CHMO0001146
Version
Author Grace Hunt
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-08-07
Related Molecule
  • benzene-1,3-dicarbaldehyde
    • Field Value
    Measurement Technique 1H–13C heteronuclear single quantum coherence
    Measurement Variables
    Data-Source Molecule ID Data-Source
    ZINC000000005774 ZINC
    J53.655E Nikkaji
    IHEMIR CCDC
    MCULE-3097604055 Mcule
    CHEMBL2289228 ChEMBL
    626-19-7 ACToR
    14747703 PubChem: Thomson Pharma
    LU162B2N9X FDA SRS
    478416 eMolecules
    30025-33-3 ACToR
    151176 Brenda
    CB4192705 ChemicalBook
    106346 Brenda
    20096890 NMRShiftDB
    34777 PubChem
    SCHEMBL180566 SureChEMBL
    The data in this table is sourced from UniChem at EBI.