Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C9H19IO4/c1-11-4-5-13-8-9-14-7-6-12-3-2-10/h2-9H2,1H3
SMILES COCCOCCOCCOCCI
InChI Key KBOKJZSZVAHUPY-UHFFFAOYSA-N
Molecular Formula C9H19IO4
Exact Mass 318.149 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/KBOKJZSZVAHUPY-UHFFFAOYSA-N/IR.1
License URL
Source https://www.chemotion-repository.net/inchikey/KBOKJZSZVAHUPY-UHFFFAOYSA-N/IR.1
Version
Author Sylvia Vanderheiden-Schroen
Maintainer Chemotion Repository
Language english
MetadataPublished 2014-08-30
Related Molecule
  • 1-[2-[2-(2-iodoethoxy)ethoxy]ethoxy]-2-methoxyethane
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    1534459 surechembl
    21737107 pubchem
    Molport-046-068-972 molport
    The data in this table is sourced from UniChem at EBI.