Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C10H8BrN5/c11-9-3-1-8(2-4-9)7-16-6-5-10(14-16)13-15-12/h1-6H,7H2
SMILES [N-]=[N+]=Nc1ccn(n1)Cc1ccc(cc1)Br
InChI Key MPLVWOQSFNIWDU-UHFFFAOYSA-N
Molecular Formula C10H8BrN5
Exact Mass 278.108 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/MPLVWOQSFNIWDU-UHFFFAOYSA-N/CHMO0000630.1
License URL
Source https://www.chemotion-repository.net/inchikey/MPLVWOQSFNIWDU-UHFFFAOYSA-N/CHMO0000630.1
Version
Author Nicolai Wippert
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-02-14
Related Molecule
  • 3-azido-1-[(4-bromophenyl)methyl]pyrazole
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    151107773 PubChem
    The data in this table is sourced from UniChem at EBI.