Dataset

attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR)

dataset for attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR)

Chemical Information

molecular Image
InChI InChI=1S/C10H5Br3N2O2/c11-10(12,13)8-5-4-6-2-1-3-7(15(16)17)9(6)14-8/h1-5H
SMILES [O-][N+](=O)c1cccc2c1nc(cc2)C(Br)(Br)Br
InChI Key QLLLYNCAUWNZSY-UHFFFAOYSA-N
Molecular Formula C10H5Br3N2O2
Exact Mass 424.871 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/QLLLYNCAUWNZSY-UHFFFAOYSA-N/CHMO0000763
License URL
Source https://www.chemotion-repository.net/inchikey/QLLLYNCAUWNZSY-UHFFFAOYSA-N/CHMO0000763
Version
Author Alexander Hoffmann
Maintainer Chemotion Repository
Language english
MetadataPublished 2022-02-18
Related Molecule
  • 8-nitro-2-(tribromomethyl)quinoline
    • Field Value
    Measurement Technique attenuated total reflectance Fourier transform infrared spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL2042567 ChEMBL
    70694485 PubChem
    ZINC000084672030 ZINC
    The data in this table is sourced from UniChem at EBI.