Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C20H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24-20(23)19(21)22/h2-18H2,1H3,(H,21,22)
SMILES CCCCCCCCCCCCCCCCCCOC(=O)C(=O)O
InChI Key XEVIUPKBMXSALX-UHFFFAOYSA-N
Molecular Formula C20H38O4
Exact Mass 342.513 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/XEVIUPKBMXSALX-UHFFFAOYSA-N/NMR/13C/CDCl3/100
License URL
Source https://www.chemotion-repository.net/inchikey/XEVIUPKBMXSALX-UHFFFAOYSA-N/NMR/13C/CDCl3/100
Version
Author Christina Belenki
Maintainer Chemotion Repository
Language english
MetadataPublished 2014-05-27
Related Molecule
  • 2-octadecoxy-2-oxoacetic acid
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    2458381 surechembl
    20435825 pubchem
    The data in this table is sourced from UniChem at EBI.