Dataset

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

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

Chemical Info

molecular Image
InChI InChI=1S/C11H9BrN2/c12-9-3-5-10(6-4-9)14-8-11-2-1-7-13-11/h1-8,13H/b14-8+
SMILES Brc1ccc(cc1)/N=C/c1ccc[nH]1
InChI Key XZDGUUWUWKTGNG-RIYZIHGNSA-N
Molecular Formula C11H9BrN2
Exact Mass 249.107 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/XZDGUUWUWKTGNG-RIYZIHGNSA-N/CHMO0000763
License URL
Source https://www.chemotion-repository.net/inchikey/XZDGUUWUWKTGNG-RIYZIHGNSA-N/CHMO0000763
Version
Author Valentina Ferraro
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-04-17
Related Molecule
  • nfdi4chem-mol8298 (Unknown Molecule)
    • Field Value
    Measurement Technique attenuated total reflectance Fourier transform infrared spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    25844731 eMolecules
    SCHEMBL2255726 SureChEMBL
    The data in this table is sourced from UniChem at EBI.