Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C8H6ClN3/c9-7-8(10)12-6-4-2-1-3-5(6)11-7/h1-4H,(H2,10,12)
SMILES Nc1nc2ccccc2nc1Cl
InChI Key NOFJFBHOKPHILH-UHFFFAOYSA-N
Molecular Formula C8H6ClN3
Exact Mass 179.606 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/NOFJFBHOKPHILH-UHFFFAOYSA-N/CHMO0000630
License URL
Source https://www.chemotion-repository.net/inchikey/NOFJFBHOKPHILH-UHFFFAOYSA-N/CHMO0000630
Version
Author Jérôme Klein
Maintainer Chemotion Repository
Language english
MetadataPublished 2020-04-12
Related Molecule
  • 3-chloroquinoxalin-2-amine
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    No additional information available for this Dataset.