Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C12H13BrN2/c1-12(2,3)10-11(13)15-9-7-5-4-6-8(9)14-10/h4-7H,1-3H3
SMILES Brc1nc2ccccc2nc1C(C)(C)C
InChI Key HQKZRJJQHIMFLC-UHFFFAOYSA-N
Molecular Formula C12H13BrN2
Exact Mass 265.149 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/HQKZRJJQHIMFLC-UHFFFAOYSA-N/CHMO0000630
License URL
Source https://www.chemotion-repository.net/inchikey/HQKZRJJQHIMFLC-UHFFFAOYSA-N/CHMO0000630
Version
Author Laura Holzhauer
Maintainer Chemotion Repository
Language english
MetadataPublished 2022-01-10
Related Molecule
  • 2-bromo-3-tert-butylquinoxaline
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    162394336 PubChem
    The data in this table is sourced from UniChem at EBI.