Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C14H22O6/c15-5-7-17-9-11-19-13-3-1-2-4-14(13)20-12-10-18-8-6-16/h1-4,15-16H,5-12H2
SMILES OCCOCCOc1ccccc1OCCOCCO
InChI Key RNPJMMIXCCKRRD-UHFFFAOYSA-N
Molecular Formula C14H22O6
Exact Mass 286.321 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/RNPJMMIXCCKRRD-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/RNPJMMIXCCKRRD-UHFFFAOYSA-N/IR
Version
Author Sylvain Grosjean
Maintainer Chemotion Repository
Language english
MetadataPublished 2014-05-27
Related Molecule
  • 2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]phenoxy]ethoxy]ethanol
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL1733549 ChEMBL
    J1.483.733G Nikkaji
    3310659 PubChem
    SCHEMBL3336500 SureChEMBL
    6176672 eMolecules
    MCULE-2283153983 Mcule
    ZINC000003157017 ZINC
    The data in this table is sourced from UniChem at EBI.