Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C12H14O4/c1-3-15-11(13)9-5-7-10(8-6-9)12(14)16-4-2/h5-8H,3-4H2,1-2H3
SMILES CCOC(=O)c1ccc(cc1)C(=O)OCC
InChI Key ONIHPYYWNBVMID-UHFFFAOYSA-N
Molecular Formula C12H14O4
Exact Mass 222.237 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/ONIHPYYWNBVMID-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/ONIHPYYWNBVMID-UHFFFAOYSA-N/CHMO0000595
Version
Author Sylvain Grosjean
Maintainer Chemotion Repository
Language english
MetadataPublished 2020-06-15
Related Molecule
  • diethyl benzene-1,4-dicarboxylate
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    87450 surechembl
    12483 pubchem
    N97X85L3CD fdasrs
    PD214659 probes_and_drugs
    DETEPH CCDC
    150079 brenda
    221949 brenda
    Molport-003-987-070 molport
    The data in this table is sourced from UniChem at EBI.