Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C12H18O2/c13-9-5-2-6-10-14-11-12-7-3-1-4-8-12/h1,3-4,7-8,13H,2,5-6,9-11H2
SMILES OCCCCCOCc1ccccc1
InChI Key RZVDPWSEPVHOPU-UHFFFAOYSA-N
Molecular Formula C12H18O2
Exact Mass 194.270 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/RZVDPWSEPVHOPU-UHFFFAOYSA-N/NMR/13C/CDCl3/100
License URL
Source https://www.chemotion-repository.net/inchikey/RZVDPWSEPVHOPU-UHFFFAOYSA-N/NMR/13C/CDCl3/100
Version
Author Nicole Jung
Maintainer Chemotion Repository
Language english
MetadataPublished 2014-05-27
Related Molecule
  • 5-phenylmethoxypentan-1-ol
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    97795 surechembl
    221194 pubchem
    Molport-001-791-474 molport
    The data in this table is sourced from UniChem at EBI.