Dataset

31P nuclear magnetic resonance spectroscopy (31P NMR)

dataset for 31P nuclear magnetic resonance spectroscopy (31P NMR)

Chemical Information

molecular Image
InChI InChI=1S/C9H13O4P/c1-11-8-6-4-5-7-9(8)14(10,12-2)13-3/h4-7H,1-3H3
SMILES COc1ccccc1P(=O)(OC)OC
InChI Key WWXKFQJWHMHAIR-UHFFFAOYSA-N
Molecular Formula C9H13O4P
Exact Mass 216.171 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/WWXKFQJWHMHAIR-UHFFFAOYSA-N/CHMO0000739
License URL
Source https://www.chemotion-repository.net/inchikey/WWXKFQJWHMHAIR-UHFFFAOYSA-N/CHMO0000739
Version
Author Christoph Zippel
Maintainer Chemotion Repository
Language english
MetadataPublished 2022-01-20
Related Molecule
  • 1-dimethoxyphosphoryl-2-methoxybenzene
    • Field Value
    Measurement Technique 31P nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    SCHEMBL10722239 SureChEMBL
    ZINC000059379697 ZINC
    DTXSID00603595 EPA CompTox Dashboard
    20209324 PubChem
    The data in this table is sourced from UniChem at EBI.