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/c1-7-3-5-9(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/CHMO0001150
License URL
Source https://www.chemotion-repository.net/inchikey/GNKZMNRKLCTJAY-UHFFFAOYSA-N/CHMO0001150
Version
Author Grace Hunt
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-08-07
Related Molecule
  • 1-(4-methylphenyl)ethanone
    • Field Value
    Measurement Technique 1H–1H correlation spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:178626 chebi
    CHEMBL271871 chembl
    55409 surechembl
    8500 pubchem
    AX66V0KX3Y fdasrs
    PD158295 probes_and_drugs
    EVUZOK CCDC
    188796 brenda
    254796 brenda
    7564 brenda
    76056 brenda
    HMDB0032608 hmdb
    Molport-019-321-773 molport
    The data in this table is sourced from UniChem at EBI.