Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C39H32OP2/c1-39(2)33-25-15-27-35(41(29-17-7-3-8-18-29)30-19-9-4-10-20-30)37(33)40-38-34(39)26-16-28-36(38)42(31-21-11-5-12-22-31)32-23-13-6-14-24-32/h3-28H,1-2H3
SMILES CC1(C)c2cccc(c2Oc2c1cccc2P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1
InChI Key CXNIUSPIQKWYAI-UHFFFAOYSA-N
Molecular Formula C39H32OP2
Exact Mass 578.618 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/CXNIUSPIQKWYAI-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/CXNIUSPIQKWYAI-UHFFFAOYSA-N/CHMO0000593
Version
Author Fabian Schönle
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-12-04
Related Molecule
  • (5-diphenylphosphanyl-9,9-dimethylxanthen-4-yl)-diphenylphosphane
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    title : FAS-Xanthphos

    date : 20240418

    starting time : 17.02 h

    label : FAS-11

    id : 115896

    Solvent : DMSO

    temperature : 300.0 K

    PULPROG : zg30

    number of scans : 16 scans

    instrument : spect

    Data-Source Molecule ID Data-Source
    CB0141028 ChemicalBook
    337365 BindingDB
    MCULE-6580279946 Mcule
    YIRWAX CCDC
    NMU72MOG9B FDA SRS
    J1.199.378H Nikkaji
    DTXSID20348350 EPA CompTox Dashboard
    ZINC000059031748 ZINC
    SCHEMBL6953 SureChEMBL
    161265-03-8 ACToR
    517368 eMolecules
    636044 PubChem
    15208421 PubChem: Thomson Pharma
    The data in this table is sourced from UniChem at EBI.