Dataset

31P nuclear magnetic resonance spectroscopy (31P NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C6H8O6P2/c7-13(8,9)5-1-2-6(4-3-5)14(10,11)12/h1-4H,(H2,7,8,9)(H2,10,11,12)
SMILES OP(=O)(c1ccc(cc1)P(=O)(O)O)O
InChI Key JHDJUJAFXNIIIW-UHFFFAOYSA-N
Molecular Formula C6H8O6P2
Exact Mass 238.072 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/JHDJUJAFXNIIIW-UHFFFAOYSA-N/CHMO0000739
License URL
Source https://www.chemotion-repository.net/inchikey/JHDJUJAFXNIIIW-UHFFFAOYSA-N/CHMO0000739
Version
Author Simon Oßwald
Maintainer Chemotion Repository
Language english
MetadataPublished 2022-01-20
Related Molecule
  • (4-phosphonophenyl)phosphonic acid
    • Field Value
    Measurement Technique 31P nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    J409.305D Nikkaji
    DTXSID30236754 EPA CompTox Dashboard
    ZINC000002566335 ZINC
    DUZPOF CCDC
    CB8219136 ChemicalBook
    SCHEMBL2171752 SureChEMBL
    880-68-2 ACToR
    37034806 eMolecules
    2773663 PubChem
    The data in this table is sourced from UniChem at EBI.