Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)

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/NMR/13C/CDCl3/100.1
License URL
Source https://www.chemotion-repository.net/inchikey/ZNYRFEPBTVGZDN-UHFFFAOYSA-N/NMR/13C/CDCl3/100.1
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 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB04332 drugbank
    CHEBI:189796 chebi
    ETE rcsb_pdb
    CHEMBL1232586 chembl
    64956 surechembl
    90263 pubchem
    PD006299 probes_and_drugs
    109641 brenda
    50302 brenda
    HMDB0062236 hmdb
    Molport-004-963-344 molport
    The data in this table is sourced from UniChem at EBI.