Dataset

correlation spectroscopy (COSY)

dataset for correlation spectroscopy (COSY)

Chemical Information

molecular Image
InChI InChI=1S/C22H22O2P.BrH/c1-4-10-19(11-5-1)25(18-22-23-16-17-24-22,20-12-6-2-7-13-20)21-14-8-3-9-15-21;/h1-15,22H,16-18H2;1H/q+1;/p-1
SMILES C1COC(O1)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
InChI Key FRHRVQQUICVJDG-UHFFFAOYSA-M
Exact Mass 429.287 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/FRHRVQQUICVJDG-UHFFFAOYSA-M/CHMO0000599
License URL
Source https://www.chemotion-repository.net/inchikey/FRHRVQQUICVJDG-UHFFFAOYSA-M/CHMO0000599
Version
Author Jana Barylko
Maintainer Chemotion Repository
Language english
MetadataPublished 2026-05-12T12:29:15Z
Related Molecule
  • 1,3-dioxolan-2-ylmethyl(triphenyl)phosphanium;bromide
    • Field Value
    Measurement Technique correlation spectroscopy
    Measurement Variables
    title : JBA-CCP-3741

    date : 20240604

    starting time : 11.14 h

    label : JBA-10

    id : 119367

    Solvent : chloroform-D1 (CDCl3)

    temperature : 300.0 K

    PULPROG : cosygpppqf

    number of scans : 1 scans

    instrument : spect

    Data-Source Molecule ID Data-Source
    510812 surechembl
    2724194 pubchem
    DTXSID00966950 comptox
    The data in this table is sourced from UniChem at EBI.