Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C13H8O3/c14-13-9-5-1-2-6-10(9)15-11-7-3-4-8-12(11)16-13/h1-8H
SMILES O=C1Oc2ccccc2Oc2c1cccc2
InChI Key YCJBWNIROIXYPD-UHFFFAOYSA-N
Molecular Formula C13H8O3
Exact Mass 212.201 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/YCJBWNIROIXYPD-UHFFFAOYSA-N/NMR/13C/CDCl3/62.5
License URL
Source https://www.chemotion-repository.net/inchikey/YCJBWNIROIXYPD-UHFFFAOYSA-N/NMR/13C/CDCl3/62.5
Version
Author Nicole Jung
Maintainer Chemotion Repository
Language english
MetadataPublished 2014-05-27
Related Molecule
  • benzo[b][1,4]benzodioxepin-6-one
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:75940 chebi
    2113335 surechembl
    30055520 surechembl
    65123 pubchem
    The data in this table is sourced from UniChem at EBI.