Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Information

molecular Image
InChI InChI=1S/C11H10O4/c1-8(12)15-10-5-2-9(3-6-10)4-7-11(13)14/h2-7H,1H3,(H,13,14)/b7-4+
SMILES OC(=O)/C=C/c1ccc(cc1)OC(=O)C
InChI Key BYHBHNKBISXCEP-QPJJXVBHSA-N
Molecular Formula C11H10O4
Exact Mass 206.195 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/BYHBHNKBISXCEP-QPJJXVBHSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/BYHBHNKBISXCEP-QPJJXVBHSA-N/CHMO0000593
Version
Author Georg Manolikakes
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-10-15
Related Molecule
  • (E)-3-(4-acetyloxyphenyl)prop-2-enoic acid
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:86580 chebi
    716835 surechembl
    5373941 pubchem
    PD210555 probes_and_drugs
    FOFCAE CCDC
    Molport-000-150-785 molport
    The data in this table is sourced from UniChem at EBI.