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/C13H14O3/c1-13(2)7-6-9-8-10(12(14)15-3)4-5-11(9)16-13/h4-8H,1-3H3
SMILES COC(=O)c1ccc2c(c1)C=CC(O2)(C)C
InChI Key BVQOOKUOYKXECX-UHFFFAOYSA-N
Molecular Formula C13H14O3
Exact Mass 218.248 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/BVQOOKUOYKXECX-UHFFFAOYSA-N/CHMO0001148
License URL
Source https://www.chemotion-repository.net/inchikey/BVQOOKUOYKXECX-UHFFFAOYSA-N/CHMO0001148
Version
Author Nicole Volz
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-11-26
Related Molecule
  • methyl 2,2-dimethylchromene-6-carboxylate
    • Field Value
    Measurement Technique 1H–13C heteronuclear multiple bond coherence
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL489132 chembl
    11398330 surechembl
    5316881 pubchem
    The data in this table is sourced from UniChem at EBI.