Dataset

31P nuclear magnetic resonance spectroscopy (31P NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C9H13O3P/c1-8-4-6-9(7-5-8)13(10,11-2)12-3/h4-7H,1-3H3
SMILES COP(=O)(c1ccc(cc1)C)OC
InChI Key OJXAATCZRHUZDB-UHFFFAOYSA-N
Molecular Formula C9H13O3P
Exact Mass 200.171 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/OJXAATCZRHUZDB-UHFFFAOYSA-N/CHMO0000739
License URL
Source https://www.chemotion-repository.net/inchikey/OJXAATCZRHUZDB-UHFFFAOYSA-N/CHMO0000739
Version
Author Christoph Zippel
Maintainer Chemotion Repository
Language english
MetadataPublished 2022-01-10
Related Molecule
  • 1-dimethoxyphosphoryl-4-methylbenzene
    • Field Value
    Measurement Technique 31P nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    14613550 PubChem
    SCHEMBL384926 SureChEMBL
    ZINC000113706591 ZINC
    DTXSID70562180 EPA CompTox Dashboard
    J1.901.742G Nikkaji
    The data in this table is sourced from UniChem at EBI.