Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Information

molecular Image
InChI InChI=1S/C25H16Br4/c26-21-9-1-17(2-10-21)25(18-3-11-22(27)12-4-18,19-5-13-23(28)14-6-19)20-7-15-24(29)16-8-20/h1-16H
SMILES Brc1ccc(cc1)C(c1ccc(cc1)Br)(c1ccc(cc1)Br)c1ccc(cc1)Br
InChI Key YBGIIZGNEOJSRF-UHFFFAOYSA-N
Molecular Formula C25H16Br4
Exact Mass 636.011 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/YBGIIZGNEOJSRF-UHFFFAOYSA-N/CHMO0000595.1
License URL
Source https://www.chemotion-repository.net/inchikey/YBGIIZGNEOJSRF-UHFFFAOYSA-N/CHMO0000595.1
Version
Author Lisa Schmidt
Maintainer Chemotion Repository
Language english
MetadataPublished 2023-08-02
Related Molecule
  • 1-bromo-4-[tris(4-bromophenyl)methyl]benzene
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    16335345 PubChem: Thomson Pharma
    SCHEMBL440244 SureChEMBL
    11250692 PubChem
    CB72559002 ChemicalBook
    DTXSID00460044 EPA CompTox Dashboard
    J951.410D Nikkaji
    TAHGAK CCDC
    ZINC000150363016 ZINC
    The data in this table is sourced from UniChem at EBI.