Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C16H8Br2FN5/c17-11-5-13-14(6-12(11)18)21-16(7-20-13)24-8-15(22-23-24)9-1-3-10(19)4-2-9/h1-8H
SMILES Fc1ccc(cc1)c1nnn(c1)c1cnc2c(n1)cc(c(c2)Br)Br
InChI Key YIWVXUFWXSUZKW-UHFFFAOYSA-N
Molecular Formula C16H8Br2FN5
Exact Mass 449.075 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/YIWVXUFWXSUZKW-UHFFFAOYSA-N/CHMO0000630
License URL
Source https://www.chemotion-repository.net/inchikey/YIWVXUFWXSUZKW-UHFFFAOYSA-N/CHMO0000630
Version
Author Laura Holzhauer
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-03-14
Related Molecule
  • 6,7-dibromo-2-[4-(4-fluorophenyl)triazol-1-yl]quinoxaline
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    No additional information available for this Dataset.