Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C8H9N3S/c1-12-8-4-2-7(3-5-8)6-10-11-9/h2-5H,6H2,1H3
SMILES CSc1ccc(cc1)CN=[N+]=[N-]
InChI Key JMDDLYOZAPJBRC-UHFFFAOYSA-N
Molecular Formula C8H9N3S
Exact Mass 179.242 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/JMDDLYOZAPJBRC-UHFFFAOYSA-N/IR.1
License URL
Source https://www.chemotion-repository.net/inchikey/JMDDLYOZAPJBRC-UHFFFAOYSA-N/IR.1
Version
Author Irina Protasova
Maintainer Chemotion Repository
Language english
MetadataPublished 2014-08-29
Related Molecule
  • 1-(azidomethyl)-4-methylsulfanylbenzene
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    14270114 surechembl
    19896626 pubchem
    The data in this table is sourced from UniChem at EBI.