Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C18H16N2/c1-13-11-18(16-5-9-20-10-6-16)14(2)12-17(13)15-3-7-19-8-4-15/h3-12H,1-2H3
SMILES Cc1cc(c(cc1c1ccncc1)C)c1ccncc1
InChI Key DWWVLJOQODKVII-UHFFFAOYSA-N
Molecular Formula C18H16N2
Exact Mass 260.333 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/DWWVLJOQODKVII-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/DWWVLJOQODKVII-UHFFFAOYSA-N/IR
Version
Author Sylvain Grosjean
Maintainer Chemotion Repository
Language english
MetadataPublished 2014-05-27
Related Molecule
  • 4-(2,5-dimethyl-4-pyridin-4-ylphenyl)pyridine
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    73427259 PubChem
    J3.592.942H Nikkaji
    SCHEMBL21627244 SureChEMBL
    CB26215686 ChemicalBook
    GUQYID CCDC
    The data in this table is sourced from UniChem at EBI.