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

Data and Resources

Metadata Information

Field Value
DOI 10.14272/POQJHLBMLVTHAU-UHFFFAOYSA-N/CHMO0001146
License URL
Source https://www.chemotion-repository.net/inchikey/POQJHLBMLVTHAU-UHFFFAOYSA-N/CHMO0001146
Version
Author Sylvia Vanderheiden-Schroen
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-06-24
Related Molecule
  • 3,4-dimethylbenzaldehyde
    • Field Value
    Measurement Technique 1H–13C heteronuclear single quantum coherence
    Measurement Variables
    Data-Source Molecule ID Data-Source
    22278 PubChem
    J42.310F Nikkaji
    20208748 NMRShiftDB
    SCHEMBL98097 SureChEMBL
    CHEMBL3187739 ChEMBL
    MCULE-4139700449 Mcule
    167406 ChEBI
    ZINC000002146875 ZINC
    43247 Brenda
    DTXSID2041626 EPA CompTox Dashboard
    14747705 PubChem: Thomson Pharma
    5973-71-7 ACToR
    16G1J12ARB FDA SRS
    514784 eMolecules
    The data in this table is sourced from UniChem at EBI.