Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C10H8N2O/c1-7-10(6-13)12-9-5-3-2-4-8(9)11-7/h2-6H,1H3
SMILES O=Cc1nc2ccccc2nc1C
InChI Key AZIGGTBMCCWNPW-UHFFFAOYSA-N
Molecular Formula C10H8N2O
Exact Mass 172.183 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/AZIGGTBMCCWNPW-UHFFFAOYSA-N/CHMO0000630.1
License URL
Source https://www.chemotion-repository.net/inchikey/AZIGGTBMCCWNPW-UHFFFAOYSA-N/CHMO0000630.1
Version
Author Victor Larignon
Maintainer Chemotion Repository
Language english
MetadataPublished 2021-05-19
Related Molecule
  • 3-methylquinoxaline-2-carbaldehyde
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    2023434 surechembl
    588800 pubchem
    Molport-001-573-142 molport
    The data in this table is sourced from UniChem at EBI.