Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C13H24O4/c1-2-3-4-5-6-7-8-9-10-17-13(16)11-12(14)15/h2-11H2,1H3,(H,14,15)
SMILES CCCCCCCCCCOC(=O)CC(=O)O
InChI Key NFJLFLMILACWJR-UHFFFAOYSA-N
Molecular Formula C13H24O4
Exact Mass 244.327 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/NFJLFLMILACWJR-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/NFJLFLMILACWJR-UHFFFAOYSA-N/IR
Version
Author Christina Belenki
Maintainer Chemotion Repository
Language english
MetadataPublished 2014-05-27
Related Molecule
  • 3-decoxy-3-oxopropanoic acid
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    3711324 surechembl
    454073 pubchem
    The data in this table is sourced from UniChem at EBI.