Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C12H24O/c1-2-3-4-5-6-7-9-12-10-8-11-13-12/h12H,2-11H2,1H3
SMILES CCCCCCCCC1CCCO1
InChI Key VDXKQHNJUOPHFV-UHFFFAOYSA-N
Molecular Formula C12H24O
Exact Mass 184.318 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/VDXKQHNJUOPHFV-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/VDXKQHNJUOPHFV-UHFFFAOYSA-N/CHMO0000595
Version
Author Vanessa Koch
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-05-21
Related Molecule
  • 2-octyloxolane
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    4626384 surechembl
    110735 pubchem
    The data in this table is sourced from UniChem at EBI.