Dataset

correlation spectroscopy (COSY)

dataset for correlation spectroscopy (COSY)

Chemical Information

molecular Image
InChI InChI=1S/C14H8N2O2/c17-7-11-5-3-9-1-2-10-4-6-12(8-18)16-14(10)13(9)15-11/h1-8H
SMILES O=Cc1ccc2c(n1)c1nc(C=O)ccc1cc2
InChI Key RHXOPVFYZBGQGA-UHFFFAOYSA-N
Exact Mass 236.226 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/RHXOPVFYZBGQGA-UHFFFAOYSA-N/CHMO0000599
License URL
Source https://www.chemotion-repository.net/inchikey/RHXOPVFYZBGQGA-UHFFFAOYSA-N/CHMO0000599
Version
Author Fabian Schönle
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-07-09
Related Molecule
  • 1,10-phenanthroline-2,9-dicarbaldehyde
    • Field Value
    Measurement Technique correlation spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL2205803 ChEMBL
    16461255 PubChem: Thomson Pharma
    SCHEMBL1088335 SureChEMBL
    981661 eMolecules
    CB4420196 ChemicalBook
    MCULE-6152111599 Mcule
    J1.088.924C Nikkaji
    SIFLIF CCDC
    50401341 BindingDB
    ZINC000000218307 ZINC
    602123 PubChem
    The data in this table is sourced from UniChem at EBI.