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/C20H16O6/c1-24-17-6-10(3-4-15(17)21)19-12-8-16(22)18(25-2)7-11(12)5-13-14(19)9-26-20(13)23/h3-8,21-22H,9H2,1-2H3
SMILES COc1cc2cc3C(=O)OCc3c(c2cc1O)c1ccc(c(c1)OC)O
InChI Key JJVJBPKUTANWEW-UHFFFAOYSA-N
Exact Mass 352.337 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/JJVJBPKUTANWEW-UHFFFAOYSA-N/CHMO0001148
License URL
Source https://www.chemotion-repository.net/inchikey/JJVJBPKUTANWEW-UHFFFAOYSA-N/CHMO0001148
Version
Author Eckhard Thines
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-08-11
Related Molecule
  • 7-hydroxy-9-(4-hydroxy-3-methoxyphenyl)-6-methoxy-1H-benzo[f][2]benzofuran-3-one
    • Field Value
    Measurement Technique 1H–13C heteronuclear multiple bond coherence
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL486411 ChEMBL
    J362.183I Nikkaji
    ZINC000014726747 ZINC
    10617963 PubChem
    15648313 PubChem: Thomson Pharma
    60070363 NMRShiftDB
    The data in this table is sourced from UniChem at EBI.