Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C12H12N2/c1-9-7-12(8-10(2)14-9)11-3-5-13-6-4-11/h3-8H,1-2H3
SMILES Cc1nc(C)cc(c1)c1ccncc1
InChI Key NBOYKYKOJICEIQ-UHFFFAOYSA-N
Molecular Formula C12H12N2
Exact Mass 184.237 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/NBOYKYKOJICEIQ-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/NBOYKYKOJICEIQ-UHFFFAOYSA-N/IR
Version
Author Hannes Kühner
Maintainer Chemotion Repository
Language english
MetadataPublished 2019-02-18
Related Molecule
  • 2,6-dimethyl-4-pyridin-4-ylpyridine
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    23342327 PubChem
    J3.404.757J Nikkaji
    ZINC000047212788 ZINC
    SCHEMBL11470383 SureChEMBL
    The data in this table is sourced from UniChem at EBI.