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/C9H10O/c1-7-3-5-9(6-4-7)8(2)10/h3-6H,1-2H3
SMILES Cc1ccc(cc1)C(=O)C
InChI Key GNKZMNRKLCTJAY-UHFFFAOYSA-N
Molecular Formula C9H10O
Exact Mass 134.175 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/GNKZMNRKLCTJAY-UHFFFAOYSA-N/CHMO0001146
License URL
Source https://www.chemotion-repository.net/inchikey/GNKZMNRKLCTJAY-UHFFFAOYSA-N/CHMO0001146
Version
Author Grace Hunt
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-08-07
Related Molecule
  • 1-(4-methylphenyl)ethanone
    • Field Value
    Measurement Technique 1H–13C heteronuclear single quantum coherence
    Measurement Variables
    Data-Source Molecule ID Data-Source
    8500 PubChem
    SCHEMBL55409 SureChEMBL
    PD158295 ProbesDrugs
    AX66V0KX3Y FDA SRS
    122-00-9 ACToR
    178626 ChEBI
    14818217 PubChem: Thomson Pharma
    527630 eMolecules
    7564 Brenda
    76056 Brenda
    HMDB0032608 Human Metabolome Database
    CB5852945 ChemicalBook
    MCULE-5591471266 Mcule
    10024884 NMRShiftDB
    CHEMBL271871 ChEMBL
    HY-W012653 MedChemExpress
    DTXSID9044374 EPA CompTox Dashboard
    EVUZOK CCDC
    J2.926B Nikkaji
    254796 Brenda
    ZINC000001699969 ZINC
    The data in this table is sourced from UniChem at EBI.