Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C19H16O5/c1-23-19(12-15(20)13-8-4-2-5-9-13)16(17(21)18(22)24-19)14-10-6-3-7-11-14/h2-11,21H,12H2,1H3
SMILES COC1(CC(=O)c2ccccc2)OC(=O)C(=C1c1ccccc1)O
InChI Key ZSQDINYGPVLTCM-UHFFFAOYSA-N
Molecular Formula C19H16O5
Exact Mass 324.327 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/ZSQDINYGPVLTCM-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/ZSQDINYGPVLTCM-UHFFFAOYSA-N/CHMO0000595
Version
Author Anja Schueffler
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-04-03
Related Molecule
  • 3-hydroxy-5-methoxy-5-phenacyl-4-phenylfuran-2-one
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Date : 2023-01-24

    Start time : 16:25:27 UTC

    Label : JCL-47

    ID : 132106

    Solvent : CDCl3

    Temperature : 293.9995 K K

    Puls programme : zgpg30

    Number of scans : 384

    Instrument : spect

    Name : TopSpin

    Version : 3.6.5

    Data-Source Molecule ID Data-Source
    20204321 NMRShiftDB
    42604569 PubChem
    74377486 PubChem: Thomson Pharma
    J2.707.696C Nikkaji
    The data in this table is sourced from UniChem at EBI.