Dataset

1H--13C heteronuclear single quantum coherence (1H-13C HSQC)

dataset for 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)

Chemical Information

molecular Image
InChI InChI=1S/C11H10O5/c1-5-4-7-6(10(13)14)2-3-8(12)9(7)11(15)16-5/h2-3,5,12H,4H2,1H3,(H,13,14)
SMILES CC1OC(=O)c2c(C1)c(ccc2O)C(=O)O
InChI Key QRLBIKRXEQOMSF-UHFFFAOYSA-N
Exact Mass 222.194 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/QRLBIKRXEQOMSF-UHFFFAOYSA-N/CHMO0001146
License URL
Source https://www.chemotion-repository.net/inchikey/QRLBIKRXEQOMSF-UHFFFAOYSA-N/CHMO0001146
Version
Author Eckhard Thines
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-08-11
Related Molecule
  • 8-hydroxy-3-methyl-1-oxo-3,4-dihydroisochromene-5-carboxylic acid
    • Field Value
    Measurement Technique 1H–13C heteronuclear single quantum coherence
    Measurement Variables
    Data-Source Molecule ID Data-Source
    J2.380.480H Nikkaji
    5242129 PubChem
    The data in this table is sourced from UniChem at EBI.