Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C5H4BrClN2/c6-4-2-1-3(8)5(7)9-4/h1-2H,8H2
SMILES Brc1ccc(c(n1)Cl)N
InChI Key YCECOMBEVDPUJG-UHFFFAOYSA-N
Molecular Formula C5H4BrClN2
Exact Mass 207.456 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/YCECOMBEVDPUJG-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/YCECOMBEVDPUJG-UHFFFAOYSA-N/IR
Version
Author Yu-Chieh Huang
Maintainer Chemotion Repository
Language english
MetadataPublished 2019-06-27
Related Molecule
  • 6-bromo-2-chloropyridin-3-amine
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    830450 eMolecules
    SCHEMBL857644 SureChEMBL
    169833-70-9 ACToR
    ZINC000002456095 ZINC
    2050085 PubChem
    MCULE-6916137993 Mcule
    DTXSID40365983 EPA CompTox Dashboard
    CB8688035 ChemicalBook
    The data in this table is sourced from UniChem at EBI.