Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C16H30O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-20-16(19)15(17)18/h2-14H2,1H3,(H,17,18)
SMILES CCCCCCCCCCCCCCOC(=O)C(=O)O
InChI Key RGEZTMBESFPREL-UHFFFAOYSA-N
Molecular Formula C16H30O4
Exact Mass 286.407 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/RGEZTMBESFPREL-UHFFFAOYSA-N/NMR/13C/CDCl3/100
License URL
Source https://www.chemotion-repository.net/inchikey/RGEZTMBESFPREL-UHFFFAOYSA-N/NMR/13C/CDCl3/100
Version
Author Christina Belenki
Maintainer Chemotion Repository
Language english
MetadataPublished 2014-05-27
Related Molecule
  • 2-oxo-2-tetradecoxyacetic acid
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    2456649 surechembl
    20435827 pubchem
    The data in this table is sourced from UniChem at EBI.