Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C21H22O7/c1-3-25-19(22)13-27-17-9-5-15(6-10-17)21(24)16-7-11-18(12-8-16)28-14-20(23)26-4-2/h5-12H,3-4,13-14H2,1-2H3
SMILES CCOC(=O)COc1ccc(cc1)C(=O)c1ccc(cc1)OCC(=O)OCC
InChI Key BWODPOTYOXPKDH-UHFFFAOYSA-N
Molecular Formula C21H22O7
Exact Mass 386.395 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/BWODPOTYOXPKDH-UHFFFAOYSA-N/NMR/13C/CDCl3/100
License URL
Source https://www.chemotion-repository.net/inchikey/BWODPOTYOXPKDH-UHFFFAOYSA-N/NMR/13C/CDCl3/100
Version
Author Nicole Jung
Maintainer Chemotion Repository
Language english
MetadataPublished 2014-05-27
Related Molecule
  • ethyl 2-[4-[4-(2-ethoxy-2-oxoethoxy)benzoyl]phenoxy]acetate
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    16035326 surechembl
    10981924 pubchem
    The data in this table is sourced from UniChem at EBI.