Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C12H14O4/c13-8-9-4-5-10(14)11(7-9)16-12-3-1-2-6-15-12/h4-5,7-8,12,14H,1-3,6H2
SMILES O=Cc1ccc(c(c1)OC1CCCCO1)O
InChI Key LOQKDMQVMLCSOS-UHFFFAOYSA-N
Molecular Formula C12H14O4
Exact Mass 222.237 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/LOQKDMQVMLCSOS-UHFFFAOYSA-N/NMR/13C/CDCl3/62.5
License URL
Source https://www.chemotion-repository.net/inchikey/LOQKDMQVMLCSOS-UHFFFAOYSA-N/NMR/13C/CDCl3/62.5
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataPublished 2014-05-27
Related Molecule
  • 4-hydroxy-3-(oxan-2-yloxy)benzaldehyde
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    73427416 pubchem
    The data in this table is sourced from UniChem at EBI.