Dataset

1H--1H correlation spectroscopy (1H-1H COSY)

dataset for 1H--1H correlation spectroscopy (1H-1H COSY)

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/HHCOSY/CDCl3
License URL
Source https://www.chemotion-repository.net/inchikey/YCJBWNIROIXYPD-UHFFFAOYSA-N/NMR/HHCOSY/CDCl3
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 1H–1H correlation spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    75940 ChEBI
    SCHEMBL2113335 SureChEMBL
    80007419 NMRShiftDB
    3580-77-6 ACToR
    65123 PubChem
    DTXSID50189334 EPA CompTox Dashboard
    MTBLC75940 Metabolights
    J105.157A Nikkaji
    ZINC000002020198 ZINC
    The data in this table is sourced from UniChem at EBI.