Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C8H7N3/c9-8-5-10-6-3-1-2-4-7(6)11-8/h1-5H,(H2,9,11)
SMILES Nc1cnc2c(n1)cccc2
InChI Key YOWAEZWWQFSEJD-UHFFFAOYSA-N
Molecular Formula C8H7N3
Exact Mass 145.161 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/YOWAEZWWQFSEJD-UHFFFAOYSA-N/CHMO0000630
License URL
Source https://www.chemotion-repository.net/inchikey/YOWAEZWWQFSEJD-UHFFFAOYSA-N/CHMO0000630
Version
Author Laura Holzhauer
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-03-16
Related Molecule
  • quinoxalin-2-amine
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    224573 PubChem
    MCULE-9947414835 Mcule
    SCHEMBL462847 SureChEMBL
    DTXSID00279557 EPA CompTox Dashboard
    ZINC000001683294 ZINC
    CB81081491 ChemicalBook
    J81.024J Nikkaji
    92286 BindingDB
    CHEMBL5092101 ChEMBL
    5424-05-5 ACToR
    3800990 eMolecules
    CB1105788 ChemicalBook
    The data in this table is sourced from UniChem at EBI.