Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C13H24O3/c1-15-13(14)10-6-4-2-3-5-8-12-9-7-11-16-12/h12H,2-11H2,1H3
SMILES COC(=O)CCCCCCCC1CCCO1
InChI Key PXGNTSOUMHVMMO-UHFFFAOYSA-N
Molecular Formula C13H24O3
Exact Mass 228.328 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/PXGNTSOUMHVMMO-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/PXGNTSOUMHVMMO-UHFFFAOYSA-N/CHMO0000595
Version
Author Vanessa Koch
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-05-21
Related Molecule
  • methyl 8-(oxolan-2-yl)octanoate
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    175646775 pubchem
    The data in this table is sourced from UniChem at EBI.