Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C25H26O7/c1-3-29-23(26)7-5-17-31-21-13-9-19(10-14-21)25(28)20-11-15-22(16-12-20)32-18-6-8-24(27)30-4-2/h5-16H,3-4,17-18H2,1-2H3/b7-5+,8-6+
SMILES CCOC(=O)/C=C/COc1ccc(cc1)C(=O)c1ccc(cc1)OC/C=C/C(=O)OCC
InChI Key OXMDPSPUSHKQNV-KQQUZDAGSA-N
Molecular Formula C25H26O7
Exact Mass 438.470 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/OXMDPSPUSHKQNV-KQQUZDAGSA-N/NMR/13C/CDCl3/100
License URL
Source https://www.chemotion-repository.net/inchikey/OXMDPSPUSHKQNV-KQQUZDAGSA-N/NMR/13C/CDCl3/100
Version
Author Nicole Jung
Maintainer Chemotion Repository
Language english
MetadataPublished 2014-05-27
Related Molecule
  • ethyl (E)-4-[4-[4-[(E)-4-ethoxy-4-oxobut-2-enoxy]benzoyl]phenoxy]but-2-enoate
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    73427505 pubchem
    The data in this table is sourced from UniChem at EBI.