Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C17H12O8/c1-5-13(18)22-9-17(10-23-14(19)6-2,11-24-15(20)7-3)12-25-16(21)8-4/h1-4H,9-12H2
SMILES C#CC(=O)OCC(COC(=O)C#C)(COC(=O)C#C)COC(=O)C#C
InChI Key XOTGTQGTNTVMPG-UHFFFAOYSA-N
Molecular Formula C17H12O8
Exact Mass 344.272 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/XOTGTQGTNTVMPG-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/XOTGTQGTNTVMPG-UHFFFAOYSA-N/CHMO0000595
Version
Author Sylvain Grosjean
Maintainer Chemotion Repository
Language english
MetadataPublished 2020-08-08
Related Molecule
  • [3-prop-2-ynoyloxy-2,2-bis(prop-2-ynoyloxymethyl)propyl] prop-2-ynoate
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    13177825 PubChem
    J2.855.589J Nikkaji
    12032629 eMolecules
    The data in this table is sourced from UniChem at EBI.