Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C11H10N2/c1-9-8-13-7-4-11(9)10-2-5-12-6-3-10/h2-8H,1H3
SMILES Cc1cnccc1c1ccncc1
InChI Key NFNMQYQMQPNCKT-UHFFFAOYSA-N
Exact Mass 170.211 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/NFNMQYQMQPNCKT-UHFFFAOYSA-N/CHMO0000630
License URL
Source https://www.chemotion-repository.net/inchikey/NFNMQYQMQPNCKT-UHFFFAOYSA-N/CHMO0000630
Version
Author Hannes Kühner
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-03-17
Related Molecule
  • 3-methyl-4-pyridin-4-ylpyridine
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    12258294 surechembl
    30395768 surechembl
    18359121 pubchem
    Molport-051-520-184 molport
    The data in this table is sourced from UniChem at EBI.