Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C10H20O2/c11-8-4-2-1-3-6-10-7-5-9-12-10/h10-11H,1-9H2
SMILES OCCCCCCC1CCCO1
InChI Key KANXHFLJQBZBGE-UHFFFAOYSA-N
Molecular Formula C10H20O2
Exact Mass 172.265 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/KANXHFLJQBZBGE-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/KANXHFLJQBZBGE-UHFFFAOYSA-N/CHMO0000595
Version
Author Vanessa Koch
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-05-21
Related Molecule
  • 6-(oxolan-2-yl)hexan-1-ol
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    971488 surechembl
    65165478 pubchem
    The data in this table is sourced from UniChem at EBI.