Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C22H18O6/c1-3-9-27-13-17-11-15(21(23)24)5-7-19(17)20-8-6-16(22(25)26)12-18(20)14-28-10-4-2/h1-2,5-8,11-12H,9-10,13-14H2,(H,23,24)(H,25,26)
SMILES C#CCOCc1cc(ccc1c1ccc(cc1COCC#C)C(=O)O)C(=O)O
InChI Key UQKGWISMQZLMJV-UHFFFAOYSA-N
Molecular Formula C22H18O6
Exact Mass 378.375 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/UQKGWISMQZLMJV-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/UQKGWISMQZLMJV-UHFFFAOYSA-N/CHMO0000595
Version
Author Sylvain Grosjean
Maintainer Chemotion Repository
Language english
MetadataPublished 2020-08-08
Related Molecule
  • 4-[4-carboxy-2-(prop-2-ynoxymethyl)phenyl]-3-(prop-2-ynoxymethyl)benzoic acid
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    146681775 pubchem
    The data in this table is sourced from UniChem at EBI.