Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C11H19Cl3O6/c1-16-2-3-17-4-5-18-6-7-19-8-9-20-10(15)11(12,13)14/h2-9H2,1H3
SMILES COCCOCCOCCOCCOC(=O)C(Cl)(Cl)Cl
InChI Key WDKNUQJLPXVSCT-UHFFFAOYSA-N
Molecular Formula C11H19Cl3O6
Exact Mass 353.624 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/WDKNUQJLPXVSCT-UHFFFAOYSA-N/IR.1
License URL
Source https://www.chemotion-repository.net/inchikey/WDKNUQJLPXVSCT-UHFFFAOYSA-N/IR.1
Version
Author Sylvia Vanderheiden-Schroen
Maintainer Chemotion Repository
Language english
MetadataPublished 2014-08-30
Related Molecule
  • 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 2,2,2-trichloroacetate
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    77050809 pubchem
    The data in this table is sourced from UniChem at EBI.