Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Information

molecular Image
InChI InChI=1S/C24H22O6/c1-5-11-29-15-19-13-17(23(25)27-3)7-9-21(19)22-10-8-18(24(26)28-4)14-20(22)16-30-12-6-2/h1-2,7-10,13-14H,11-12,15-16H2,3-4H3
SMILES C#CCOCc1cc(ccc1c1ccc(cc1COCC#C)C(=O)OC)C(=O)OC
InChI Key NJIBLACJIYRFHP-UHFFFAOYSA-N
Molecular Formula C24H22O6
Exact Mass 406.428 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/NJIBLACJIYRFHP-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/NJIBLACJIYRFHP-UHFFFAOYSA-N/CHMO0000593
Version
Author Sylvain Grosjean
Maintainer Chemotion Repository
Language english
MetadataPublished 2020-08-06
Related Molecule
  • methyl 4-[4-methoxycarbonyl-2-(prop-2-ynoxymethyl)phenyl]-3-(prop-2-ynoxymethyl)benzoate
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    146681761 pubchem
    The data in this table is sourced from UniChem at EBI.