Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C13H9BrN2/c14-11-6-7-13-15-12(9-16(13)8-11)10-4-2-1-3-5-10/h1-9H
SMILES Brc1ccc2n(c1)cc(n2)c1ccccc1
InChI Key JECUQJPFGTUNCJ-UHFFFAOYSA-N
Molecular Formula C13H9BrN2
Exact Mass 273.128 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/JECUQJPFGTUNCJ-UHFFFAOYSA-N/CHMO0000630
License URL
Source https://www.chemotion-repository.net/inchikey/JECUQJPFGTUNCJ-UHFFFAOYSA-N/CHMO0000630
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataPublished 2023-03-03
Related Molecule
  • 6-bromo-2-phenylimidazo[1,2-a]pyridine
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    TIDVIN CCDC
    DTXSID70347595 EPA CompTox Dashboard
    J3.139.199G Nikkaji
    ZINC000000134520 ZINC
    CB6680378 ChemicalBook
    6911758 eMolecules
    SCHEMBL970456 SureChEMBL
    74377118 PubChem: Thomson Pharma
    MCULE-1484297314 Mcule
    623430 PubChem
    The data in this table is sourced from UniChem at EBI.