Dataset

mass spectrometry (MS)

dataset for mass spectrometry (MS)

Chemical Information

molecular Image
InChI InChI=1S/C28H24BrOP/c29-27-19-21-11-15-23(27)16-12-22-14-18-24(17-13-21)28(20-22)31(30,25-7-3-1-4-8-25)26-9-5-2-6-10-26/h1-11,14-15,18-20H,12-13,16-17H2
SMILES Brc1cc2CCc3ccc(CCc1cc2)cc3P(=O)(c1ccccc1)c1ccccc1
InChI Key FEDJQHYSUPDZQW-UHFFFAOYSA-N
Molecular Formula C28H24BrOP
Exact Mass 487.367 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/FEDJQHYSUPDZQW-UHFFFAOYSA-N/CHMO0000470
License URL
Source https://www.chemotion-repository.net/inchikey/FEDJQHYSUPDZQW-UHFFFAOYSA-N/CHMO0000470
Version
Author Daniel Knoll
Maintainer Chemotion Repository
Language english
MetadataPublished 2020-06-15
Related Molecule
  • 5-bromo-11-diphenylphosphoryltricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene
    • Field Value
    Measurement Technique mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    23421877 PubChem
    JALMES CCDC
    The data in this table is sourced from UniChem at EBI.