Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C4H6O4.K/c1-8-4(7)2-3(5)6;/h2H2,1H3,(H,5,6);/q;+1/p-1
SMILES COC(=O)CC(=O)O[K]
InChI Key WWTULTKUWBKVGV-UHFFFAOYSA-M
Molecular Formula C4H5KO4
Exact Mass 156.178 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/WWTULTKUWBKVGV-UHFFFAOYSA-M/IR
License URL
Source https://www.chemotion-repository.net/inchikey/WWTULTKUWBKVGV-UHFFFAOYSA-M/IR
Version
Author Yu-Chieh Huang
Maintainer Chemotion Repository
Language english
MetadataPublished 2019-06-27
Related Molecule
  • potassium;3-methoxy-3-oxopropanoate
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    344530 surechembl
    2724687 pubchem
    DTXSID90191698 comptox
    Molport-000-144-767 molport
    The data in this table is sourced from UniChem at EBI.