Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C23H18BrN3O/c24-22-14-16-2-6-17-5-1-15(3-7-18(22)8-4-16)13-21(17)23(28)19-9-11-20(12-10-19)26-27-25/h1,4-5,8-14H,2-3,6-7H2
SMILES [N-]=[N+]=Nc1ccc(cc1)C(=O)c1cc2ccc1CCc1ccc(CC2)c(c1)Br
InChI Key ATGHWZLVTDBQMV-UHFFFAOYSA-N
Molecular Formula C23H18BrN3O
Exact Mass 432.313 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/ATGHWZLVTDBQMV-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/ATGHWZLVTDBQMV-UHFFFAOYSA-N/IR
Version
Author Yu-Chieh Huang
Maintainer Chemotion Repository
Language english
MetadataPublished 2019-06-27
Related Molecule
  • (4-azidophenyl)-(11-bromo-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl)methanone
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    138453833 pubchem
    The data in this table is sourced from UniChem at EBI.