Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C14H26O4/c1-2-3-4-5-6-7-8-9-10-11-12-18-14(17)13(15)16/h2-12H2,1H3,(H,15,16)
SMILES CCCCCCCCCCCCOC(=O)C(=O)O
InChI Key WQTUTNVIOPLRQC-UHFFFAOYSA-N
Molecular Formula C14H26O4
Exact Mass 258.354 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/WQTUTNVIOPLRQC-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/WQTUTNVIOPLRQC-UHFFFAOYSA-N/IR
Version
Author Yu-Chieh Huang
Maintainer Chemotion Repository
Language english
MetadataPublished 2019-06-27
Related Molecule
  • 2-dodecoxy-2-oxoacetic acid
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    SCHEMBL2454311 SureChEMBL
    21470891 PubChem
    The data in this table is sourced from UniChem at EBI.