Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C2H2N2O4.2K/c5-1(6)3-4-2(7)8;;/h(H,5,6)(H,7,8);;/q;2*+1/p-2/b4-3+;;
SMILES [O-]C(=O)/N=N/C(=O)[O-].[K+].[K+]
InChI Key UYKSYRMKGNNMMU-CZEFNJPISA-L
Molecular Formula C2K2N2O4
Exact Mass 194.229 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/UYKSYRMKGNNMMU-CZEFNJPISA-L/IR
License URL
Source https://www.chemotion-repository.net/inchikey/UYKSYRMKGNNMMU-CZEFNJPISA-L/IR
Version
Author Yu-Chieh Huang
Maintainer Chemotion Repository
Language english
MetadataPublished 2019-06-27
Related Molecule
  • dipotassium;(NE)-N-carboxylatoiminocarbamate
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    1114576 surechembl
    6285299 pubchem
    6535405 pubchem
    XE5GCW5Y4B fdasrs
    DTXSID801337202 comptox
    The data in this table is sourced from UniChem at EBI.