Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C15H11N3.3ClH.Fe/c1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13;;;;/h1-11H;3*1H;/q;;;;+3/p-3
SMILES c1ccc(nc1)c1cccc(n1)c1ccccn1.Cl[Fe](Cl)Cl
InChI Key LQWTYRPTPHZVDH-UHFFFAOYSA-K
Exact Mass 395.472 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/LQWTYRPTPHZVDH-UHFFFAOYSA-K/CHMO0000630
License URL
Source https://www.chemotion-repository.net/inchikey/LQWTYRPTPHZVDH-UHFFFAOYSA-K/CHMO0000630
Version
Author Eva Pauline Giertz
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-11-01
Related Molecule
  • 2,6-dipyridin-2-ylpyridine;trichloroiron
    • Field Value
    Measurement Technique CHMO:0000630
    Measurement Variables
    Data-Source Molecule ID Data-Source
    168106020 PubChem
    The data in this table is sourced from UniChem at EBI.