Dataset

1H--1H correlation spectroscopy (1H-1H COSY)

dataset for 1H--1H correlation spectroscopy (1H-1H COSY)

Chemical Info

molecular Image
InChI InChI=1S/C21H24O6/c1-24-19-14-16(8-13-21(23)26-3)6-11-18(19)27-17-9-4-15(5-10-17)7-12-20(22)25-2/h4-6,9-11,14H,7-8,12-13H2,1-3H3
SMILES COC(=O)CCc1ccc(cc1)Oc1ccc(cc1OC)CCC(=O)OC
InChI Key SYWGPADQOCSBBG-UHFFFAOYSA-N
Molecular Formula C21H24O6
Exact Mass 372.412 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/SYWGPADQOCSBBG-UHFFFAOYSA-N/NMR/HHCOSY/CDCl3.1
License URL
Source https://www.chemotion-repository.net/inchikey/SYWGPADQOCSBBG-UHFFFAOYSA-N/NMR/HHCOSY/CDCl3.1
Version
Author Nicole Jung
Maintainer Chemotion Repository
Language english
MetadataPublished 2014-08-30
Related Molecule
  • methyl 3-[4-[2-methoxy-4-(3-methoxy-3-oxopropyl)phenoxy]phenyl]propanoate
    • Field Value
    Measurement Technique 1H–1H correlation spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    11516262 PubChem
    CHEMBL2269137 ChEMBL
    ZINC000014620418 ZINC
    J2.257.155I Nikkaji
    16618244 PubChem: Thomson Pharma
    70011139 NMRShiftDB
    The data in this table is sourced from UniChem at EBI.