Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C5H3Br2ClN2/c6-2-1-3(7)10-5(8)4(2)9/h1H,9H2
SMILES Brc1cc(Br)c(c(n1)Cl)N
InChI Key MELFQEILRLHIJL-UHFFFAOYSA-N
Molecular Formula C5H3Br2ClN2
Exact Mass 286.352 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/MELFQEILRLHIJL-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/MELFQEILRLHIJL-UHFFFAOYSA-N/IR
Version
Author Yu-Chieh Huang
Maintainer Chemotion Repository
Language english
MetadataPublished 2019-06-27
Related Molecule
  • 4,6-dibromo-2-chloropyridin-3-amine
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    3800977 eMolecules
    SCHEMBL1868968 SureChEMBL
    DTXSID80355742 EPA CompTox Dashboard
    ZINC000000330772 ZINC
    817101 PubChem
    The data in this table is sourced from UniChem at EBI.