Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C10H8N6O2/c1-7-6-10(12-14-11)13-15(7)8-2-4-9(5-3-8)16(17)18/h2-6H,1H3
SMILES [N-]=[N+]=Nc1nn(c(c1)C)c1ccc(cc1)[N+](=O)[O-]
InChI Key HISYWPICEGTOTQ-UHFFFAOYSA-N
Molecular Formula C10H8N6O2
Exact Mass 244.210 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/HISYWPICEGTOTQ-UHFFFAOYSA-N/CHMO0000630
License URL
Source https://www.chemotion-repository.net/inchikey/HISYWPICEGTOTQ-UHFFFAOYSA-N/CHMO0000630
Version
Author Nicolai Wippert
Maintainer Chemotion Repository
Language english
MetadataPublished 2022-01-10
Related Molecule
  • 3-azido-5-methyl-1-(4-nitrophenyl)pyrazole
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    162394347 pubchem
    The data in this table is sourced from UniChem at EBI.