Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C18H34O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22-18(21)17(19)20/h2-16H2,1H3,(H,19,20)
SMILES CCCCCCCCCCCCCCCCOC(=O)C(=O)O
InChI Key JSGQQGNVTXXNQN-UHFFFAOYSA-N
Molecular Formula C18H34O4
Exact Mass 314.460 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/JSGQQGNVTXXNQN-UHFFFAOYSA-N/NMR/13C/CDCl3/100
License URL
Source https://www.chemotion-repository.net/inchikey/JSGQQGNVTXXNQN-UHFFFAOYSA-N/NMR/13C/CDCl3/100
Version
Author Christina Belenki
Maintainer Chemotion Repository
Language english
MetadataPublished 2014-05-27
Related Molecule
  • 2-hexadecoxy-2-oxoacetic acid
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    2456609 surechembl
    22608939 pubchem
    The data in this table is sourced from UniChem at EBI.