Dataset

correlation spectroscopy (COSY)

dataset for correlation spectroscopy (COSY)

Chemical Information

molecular Image
InChI InChI=1S/C14H8O4/c15-9-5-6-10(16)12-11(9)13(17)7-3-1-2-4-8(7)14(12)18/h1-6,15-16H
SMILES Oc1ccc(c2c1C(=O)c1ccccc1C2=O)O
InChI Key GUEIZVNYDFNHJU-UHFFFAOYSA-N
Molecular Formula C14H8O4
Exact Mass 240.211 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/GUEIZVNYDFNHJU-UHFFFAOYSA-N/CHMO0000599
License URL
Source https://www.chemotion-repository.net/inchikey/GUEIZVNYDFNHJU-UHFFFAOYSA-N/CHMO0000599
Version
Author Fabian Schönle
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-05-31
Related Molecule
  • 1,4-dihydroxyanthracene-9,10-dione
    • Field Value
    Measurement Technique correlation spectroscopy
    Measurement Variables
    title : FAS-81-64-1

    date : 20240523

    starting time : 16.43 h

    label : FAS-127

    id : 117352

    Solvent : chloroform-D1 (CDCl3)

    temperature : 300.0 K

    PULPROG : cosygpppqf

    number of scans : 1 scans

    instrument : spect

    Data-Source Molecule ID Data-Source
    CHEBI:37487 chebi
    CHEMBL17594 chembl
    160038 surechembl
    29385801 surechembl
    6688 pubchem
    8S496ZV3CS fdasrs
    PD000118 probes_and_drugs
    DHXANT CCDC
    11244 brenda
    15943 brenda
    28095 brenda
    HMDB0257042 hmdb
    Molport-000-645-297 molport
    50240382 bindingdb
    The data in this table is sourced from UniChem at EBI.