Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C20H12N2/c1-3-15-21-19(5-1)13-11-17-7-9-18(10-8-17)12-14-20-6-2-4-16-22-20/h1-10,15-16H
SMILES c1ccc(nc1)C#Cc1ccc(cc1)C#Cc1ccccn1
InChI Key LRUNHYLVQLYHCI-UHFFFAOYSA-N
Molecular Formula C20H12N2
Exact Mass 280.323 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/LRUNHYLVQLYHCI-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/LRUNHYLVQLYHCI-UHFFFAOYSA-N/IR
Version
Author Yu-Chieh Huang
Maintainer Chemotion Repository
Language english
MetadataPublished 2019-06-27
Related Molecule
  • 2-[2-[4-(2-pyridin-2-ylethynyl)phenyl]ethynyl]pyridine
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL4094126 chembl
    71527859 pubchem
    50232459 bindingdb
    The data in this table is sourced from UniChem at EBI.