Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C12H6Br2S/c13-7-1-3-11-9(5-7)10-6-8(14)2-4-12(10)15-11/h1-6H
SMILES Brc1ccc2c(c1)c1cc(Br)ccc1s2
InChI Key WNEXSUAHKVAPFK-UHFFFAOYSA-N
Molecular Formula C12H6Br2S
Exact Mass 342.049 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/WNEXSUAHKVAPFK-UHFFFAOYSA-N/CHMO0000630
License URL
Source https://www.chemotion-repository.net/inchikey/WNEXSUAHKVAPFK-UHFFFAOYSA-N/CHMO0000630
Version
Author Henrik Tappert
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-02-26
Related Molecule
  • 2,8-dibromodibenzothiophene
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    216673 surechembl
    29432245 surechembl
    631120 pubchem
    Molport-000-225-905 molport
    The data in this table is sourced from UniChem at EBI.