Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C5H4N4/c6-9-8-5-2-1-3-7-4-5/h1-4H
SMILES [N-]=[N+]=Nc1cccnc1
InChI Key JIAJBAZUBPTCAO-UHFFFAOYSA-N
Molecular Formula C5H4N4
Exact Mass 120.112 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/JIAJBAZUBPTCAO-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/JIAJBAZUBPTCAO-UHFFFAOYSA-N/IR
Version
Author Yu-Chieh Huang
Maintainer Chemotion Repository
Language english
MetadataPublished 2019-06-27
Related Molecule
  • 3-azidopyridine
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    SCHEMBL364934 SureChEMBL
    32442267 eMolecules
    ZINC000038844562 ZINC
    J1.411.420C Nikkaji
    DTXSID50476857 EPA CompTox Dashboard
    12066687 PubChem
    The data in this table is sourced from UniChem at EBI.