Dataset

correlation spectroscopy (COSY)

dataset for correlation spectroscopy (COSY)

Chemical Information

molecular Image
InChI InChI=1S/C15H16N2O/c18-15(16-11-13-7-3-1-4-8-13)17-12-14-9-5-2-6-10-14/h1-10H,11-12H2,(H2,16,17,18)
SMILES O=C(NCc1ccccc1)NCc1ccccc1
InChI Key KATOLVAXCGIBLO-UHFFFAOYSA-N
Molecular Formula C15H16N2O
Exact Mass 240.300 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/KATOLVAXCGIBLO-UHFFFAOYSA-N/CHMO0000599
License URL
Source https://www.chemotion-repository.net/inchikey/KATOLVAXCGIBLO-UHFFFAOYSA-N/CHMO0000599
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataPublished 2023-02-23
Related Molecule
  • 1,3-dibenzylurea
    • Field Value
    Measurement Technique correlation spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DTXSID3061710 EPA CompTox Dashboard
    ZINC000000084096 ZINC
    J80.122D Nikkaji
    XINRIV CCDC
    50248768 BindingDB
    CB1884445 ChemicalBook
    72889 PubChem
    CHEMBL504463 ChEMBL
    15925098 PubChem: Thomson Pharma
    1466-67-7 ACToR
    ZV725XJ34V FDA SRS
    857835 eMolecules
    MCULE-6455496488 Mcule
    20026480 NMRShiftDB
    SCHEMBL714625 SureChEMBL
    The data in this table is sourced from UniChem at EBI.