Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C11H20O4/c1-2-3-4-5-6-7-8-9-15-11(14)10(12)13/h2-9H2,1H3,(H,12,13)
SMILES CCCCCCCCCOC(=O)C(=O)O
InChI Key ZFWFEGCLMGKIGK-UHFFFAOYSA-N
Molecular Formula C11H20O4
Exact Mass 216.274 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/ZFWFEGCLMGKIGK-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/ZFWFEGCLMGKIGK-UHFFFAOYSA-N/IR
Version
Author Yu-Chieh Huang
Maintainer Chemotion Repository
Language english
MetadataPublished 2019-06-27
Related Molecule
  • 2-nonoxy-2-oxoacetic acid
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    2458001 surechembl
    12228023 pubchem
    The data in this table is sourced from UniChem at EBI.