Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

dataset for 1H nuclear magnetic resonance spectroscopy (1H 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/1H/CDCl3/250
License URL
Source https://www.chemotion-repository.net/inchikey/HWDSXZLYIKESML-UHFFFAOYSA-N/NMR/1H/CDCl3/250
Version
Author Nicole Jung
Maintainer Chemotion Repository
Language english
MetadataPublished 2014-05-27
Related Molecule
  • 3-phenylchromen-2-one
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    14969745 PubChem: Thomson Pharma
    SCHEMBL177366 SureChEMBL
    955-10-2 ACToR
    70385 PubChem
    730085 eMolecules
    71460 Brenda
    MCULE-1345261046 Mcule
    CHEMBL510349 ChEMBL
    WV24YNY4AU FDA SRS
    DTXSID50241860 EPA CompTox Dashboard
    96220 BindingDB
    J80.041D Nikkaji
    QECNUJ CCDC
    ZINC000000057995 ZINC
    The data in this table is sourced from UniChem at EBI.