Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C12H16O4/c1-8(2)16-12(13)9-5-6-10(14-3)11(7-9)15-4/h5-8H,1-4H3
SMILES COc1cc(ccc1OC)C(=O)OC(C)C
InChI Key OFZYIRUQJKZFKA-UHFFFAOYSA-N
Molecular Formula C12H16O4
Exact Mass 224.253 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/OFZYIRUQJKZFKA-UHFFFAOYSA-N/NMR/13C/CDCl3/62.5.1
License URL
Source https://www.chemotion-repository.net/inchikey/OFZYIRUQJKZFKA-UHFFFAOYSA-N/NMR/13C/CDCl3/62.5.1
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataPublished 2015-05-13
Related Molecule
  • propan-2-yl 3,4-dimethoxybenzoate
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL478272 chembl
    799903 surechembl
    25267131 pubchem
    The data in this table is sourced from UniChem at EBI.