Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Information

molecular Image
InChI InChI=1S/C15H10O2/c16-15-13(11-6-2-1-3-7-11)10-12-8-4-5-9-14(12)17-15/h1-10H
SMILES O=c1oc2ccccc2cc1c1ccccc1
InChI Key HWDSXZLYIKESML-UHFFFAOYSA-N
Molecular Formula C15H10O2
Exact Mass 222.239 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/HWDSXZLYIKESML-UHFFFAOYSA-N/NMR/13C/CDCl3/62.5
License URL
Source https://www.chemotion-repository.net/inchikey/HWDSXZLYIKESML-UHFFFAOYSA-N/NMR/13C/CDCl3/62.5
Version
Author Nicole Jung
Maintainer Chemotion Repository
Language english
MetadataPublished 2014-05-27
Related Molecule
  • 3-phenylchromen-2-one
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL510349 chembl
    177366 surechembl
    30356319 surechembl
    70385 pubchem
    WV24YNY4AU fdasrs
    QECNUJ CCDC
    71460 brenda
    209313 bindingdb
    51344103 bindingdb
    51344129 bindingdb
    Molport-000-881-272 molport
    The data in this table is sourced from UniChem at EBI.