Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Information

molecular Image
InChI InChI=1S/C13H12O2/c1-14-11-7-9-13(10-8-11)15-12-5-3-2-4-6-12/h2-10H,1H3
SMILES COc1ccc(cc1)Oc1ccccc1
InChI Key ZRJGNCLNUWKEFU-UHFFFAOYSA-N
Molecular Formula C13H12O2
Exact Mass 200.233 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/ZRJGNCLNUWKEFU-UHFFFAOYSA-N/NMR/1H/CDCl3/400
License URL
Source https://www.chemotion-repository.net/inchikey/ZRJGNCLNUWKEFU-UHFFFAOYSA-N/NMR/1H/CDCl3/400
Version
Author Nicole Jung
Maintainer Chemotion Repository
Language english
MetadataPublished 2014-05-27
Related Molecule
  • 1-methoxy-4-phenoxybenzene
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL398021 ChEMBL
    DTXSID2061852 EPA CompTox Dashboard
    J99.605J Nikkaji
    ZINC000001561846 ZINC
    2740364 eMolecules
    74253 PubChem
    16300699 PubChem: Thomson Pharma
    1655-69-2 ACToR
    SCHEMBL491503 SureChEMBL
    MCULE-6923583673 Mcule
    The data in this table is sourced from UniChem at EBI.