Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C9H20O5/c1-11-4-5-13-8-9-14-7-6-12-3-2-10/h10H,2-9H2,1H3
SMILES COCCOCCOCCOCCO
InChI Key ZNYRFEPBTVGZDN-UHFFFAOYSA-N
Molecular Formula C9H20O5
Exact Mass 208.252 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/ZNYRFEPBTVGZDN-UHFFFAOYSA-N/IR.1
License URL
Source https://www.chemotion-repository.net/inchikey/ZNYRFEPBTVGZDN-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]ethanol
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    718484 eMolecules
    90263 PubChem
    15121124 PubChem: Thomson Pharma
    23783-42-8 ACToR
    PD006299 ProbesDrugs
    SCHEMBL64956 SureChEMBL
    CB4712280 ChemicalBook
    HMDB0062236 Human Metabolome Database
    109641 Brenda
    50302 Brenda
    DB04332 DrugBank
    ETE PDBe
    CHEMBL1232586 ChEMBL
    MCULE-8343383217 Mcule
    HY-W018365 MedChemExpress
    J97.011E Nikkaji
    189796 ChEBI
    DTXSID3027829 EPA CompTox Dashboard
    ZINC000001580161 ZINC
    The data in this table is sourced from UniChem at EBI.