Dataset

1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)

dataset for 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)

Chemical Information

molecular Image
InChI InChI=1S/C19H16O6/c1-24-19(11-15(21)12-7-9-14(20)10-8-12)16(17(22)18(23)25-19)13-5-3-2-4-6-13/h2-10,20,22H,11H2,1H3
SMILES COC1(OC(=O)C(=C1c1ccccc1)O)CC(=O)c1ccc(cc1)O
InChI Key LQKBSBWZJOHANT-UHFFFAOYSA-N
Molecular Formula C19H16O6
Exact Mass 340.327 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/LQKBSBWZJOHANT-UHFFFAOYSA-N/CHMO0001148
License URL
Source https://www.chemotion-repository.net/inchikey/LQKBSBWZJOHANT-UHFFFAOYSA-N/CHMO0001148
Version
Author Anja Schueffler
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-04-03
Related Molecule
  • 3-hydroxy-5-[2-(4-hydroxyphenyl)-2-oxoethyl]-5-methoxy-4-phenylfuran-2-one
    • Field Value
    Measurement Technique 1H–13C heteronuclear multiple bond coherence
    Measurement Variables
    Date : 2023-10-24

    Starting time : 22:47:04 UTC

    label : JCL-56

    id : 132115

    Solvent used for referencing : DMSO

    temperature : 294.0003 K

    PULPROG : hmbcgplpndqf

    number of scans : 4 scans

    instrument : spect

    Name : TopSpin

    Version : 3.6.5

    Data-Source Molecule ID Data-Source
    No additional information available for this Dataset.