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/c1-11-8-5-4-6-9(7-8)14(10,12-2)13-3/h4-7H,1-3H3
SMILES COc1cccc(c1)P(=O)(OC)OC
InChI Key GDSWYCZRSZXYHX-UHFFFAOYSA-N
Molecular Formula C9H13O4P
Exact Mass 216.171 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/GDSWYCZRSZXYHX-UHFFFAOYSA-N/CHMO0000739
License URL
Source https://www.chemotion-repository.net/inchikey/GDSWYCZRSZXYHX-UHFFFAOYSA-N/CHMO0000739
Version
Author Christoph Zippel
Maintainer Chemotion Repository
Language english
MetadataPublished 2022-01-10
Related Molecule
  • 1-dimethoxyphosphoryl-3-methoxybenzene
    • Field Value
    Measurement Technique 31P nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    57681405 PubChem
    SCHEMBL12230072 SureChEMBL
    ZINC000145433547 ZINC
    The data in this table is sourced from UniChem at EBI.