Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C15H14O4/c1-17-12-5-3-4-6-13(12)19-14-8-7-11(10-16)9-15(14)18-2/h3-10H,1-2H3
SMILES COc1cc(C=O)ccc1Oc1ccccc1OC
InChI Key TUSNHZIKKUVRTK-UHFFFAOYSA-N
Molecular Formula C15H14O4
Exact Mass 258.269 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/TUSNHZIKKUVRTK-UHFFFAOYSA-N/NMR/13C/CDCl3/100.1
License URL
Source https://www.chemotion-repository.net/inchikey/TUSNHZIKKUVRTK-UHFFFAOYSA-N/NMR/13C/CDCl3/100.1
Version
Author Frederic Witkind Hirth
Maintainer Chemotion Repository
Language english
MetadataPublished 2014-08-21
Related Molecule
  • 3-methoxy-4-(2-methoxyphenoxy)benzaldehyde
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    26927383 surechembl
    57518763 pubchem
    The data in this table is sourced from UniChem at EBI.