Dataset

1H--1H correlation spectroscopy (1H-1H COSY)

dataset for 1H--1H correlation spectroscopy (1H-1H COSY)

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/CHMO0001150
License URL
Source https://www.chemotion-repository.net/inchikey/POQJHLBMLVTHAU-UHFFFAOYSA-N/CHMO0001150
Version
Author Sylvia Vanderheiden-Schroen
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-06-24
Related Molecule
  • 3,4-dimethylbenzaldehyde
    • Field Value
    Measurement Technique 1H–1H correlation spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:167406 chebi
    CHEMBL3187739 chembl
    29350085 surechembl
    98097 surechembl
    22278 pubchem
    16G1J12ARB fdasrs
    43247 brenda
    DTXSID2041626 comptox
    Molport-001-768-056 molport
    The data in this table is sourced from UniChem at EBI.