Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C8H4Br2N2O/c9-4-1-2-5(10)8-7(4)11-3-6(13)12-8/h1-3H,(H,12,13)
SMILES O=c1cnc2c([nH]1)c(Br)ccc2Br
InChI Key MJASYZUZGMXMQK-UHFFFAOYSA-N
Exact Mass 303.938 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/MJASYZUZGMXMQK-UHFFFAOYSA-N/CHMO0000630
License URL
Source https://www.chemotion-repository.net/inchikey/MJASYZUZGMXMQK-UHFFFAOYSA-N/CHMO0000630
Version
Author Laura Holzhauer
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-03-16
Related Molecule
  • 5,8-dibromo-1H-quinoxalin-2-one
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    SCHEMBL14488120 SureChEMBL
    71187176 PubChem
    ZINC000206399369 ZINC
    The data in this table is sourced from UniChem at EBI.