Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C14H12O6/c1-5-11(15)18-8-14(4,9-19-12(16)6-2)10-20-13(17)7-3/h1-3H,8-10H2,4H3
SMILES C#CC(=O)OCC(COC(=O)C#C)(COC(=O)C#C)C
InChI Key DRGLMVBUAVEDKH-UHFFFAOYSA-N
Molecular Formula C14H12O6
Exact Mass 276.241 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/DRGLMVBUAVEDKH-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/DRGLMVBUAVEDKH-UHFFFAOYSA-N/CHMO0000595
Version
Author Sylvain Grosjean
Maintainer Chemotion Repository
Language english
MetadataPublished 2020-08-08
Related Molecule
  • [2-methyl-3-prop-2-ynoyloxy-2-(prop-2-ynoyloxymethyl)propyl] prop-2-ynoate
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    25053710 eMolecules
    SCHEMBL12305023 SureChEMBL
    88901845 PubChem
    The data in this table is sourced from UniChem at EBI.