Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C16H16O9/c1-8(17)22-7-13(21)12-5-14(23-9(2)18)16(25-11(4)20)15(6-12)24-10(3)19/h5-6H,7H2,1-4H3
SMILES CC(=O)OCC(=O)c1cc(OC(=O)C)c(c(c1)OC(=O)C)OC(=O)C
InChI Key YBPOUYKRSJRDEC-UHFFFAOYSA-N
Molecular Formula C16H16O9
Exact Mass 352.293 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/YBPOUYKRSJRDEC-UHFFFAOYSA-N/NMR/13C/CDCl3/100.1
License URL
Source https://www.chemotion-repository.net/inchikey/YBPOUYKRSJRDEC-UHFFFAOYSA-N/NMR/13C/CDCl3/100.1
Version
Author Frederic Witkind Hirth
Maintainer Chemotion Repository
Language english
MetadataPublished 2014-08-26
Related Molecule
  • [2-oxo-2-(3,4,5-triacetyloxyphenyl)ethyl] acetate
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    97308 pubchem
    The data in this table is sourced from UniChem at EBI.