Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C12H12Br6/c13-1-7-8(2-14)10(4-16)12(6-18)11(5-17)9(7)3-15/h1-6H2
SMILES BrCc1c(CBr)c(CBr)c(c(c1CBr)CBr)CBr
InChI Key XJOUCILNLRXRTF-UHFFFAOYSA-N
Molecular Formula C12H12Br6
Exact Mass 635.648 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/XJOUCILNLRXRTF-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/XJOUCILNLRXRTF-UHFFFAOYSA-N/IR
Version
Author Isabelle Wessely
Maintainer Chemotion Repository
Language english
MetadataPublished 2014-05-27
Related Molecule
  • 1,2,3,4,5,6-hexakis(bromomethyl)benzene
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    36987 surechembl
    76540 pubchem
    9L5YE6ET3R fdasrs
    HBMEBZ CCDC
    Molport-002-353-372 molport
    The data in this table is sourced from UniChem at EBI.