Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C12H24O2/c13-10-6-4-2-1-3-5-8-12-9-7-11-14-12/h12-13H,1-11H2
SMILES OCCCCCCCCC1CCCO1
InChI Key CUJRILCFZSDNPY-UHFFFAOYSA-N
Molecular Formula C12H24O2
Exact Mass 200.318 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/CUJRILCFZSDNPY-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/CUJRILCFZSDNPY-UHFFFAOYSA-N/CHMO0000595
Version
Author Vanessa Koch
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-05-21
Related Molecule
  • 8-(oxolan-2-yl)octan-1-ol
  • 8-(oxolan-2-yl)octan-1-ol
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    4489413 surechembl
    23119483 pubchem
    The data in this table is sourced from UniChem at EBI.