Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C16H10O4/c17-15-10-14(12-8-4-5-9-13(12)19-15)20-16(18)11-6-2-1-3-7-11/h1-10H
SMILES O=c1cc(OC(=O)c2ccccc2)c2c(o1)cccc2
InChI Key XJVHOURXXNKDMD-UHFFFAOYSA-N
Molecular Formula C16H10O4
Exact Mass 266.248 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/XJVHOURXXNKDMD-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/XJVHOURXXNKDMD-UHFFFAOYSA-N/CHMO0000593
Version
Author Jonas Klopf
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-05-06
Related Molecule
  • (2-oxochromen-4-yl) benzoate
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL1714592 ChEMBL
    J3.373.766A Nikkaji
    DTXSID30355212 EPA CompTox Dashboard
    ZINC000000296657 ZINC
    MCULE-3203372770 Mcule
    1842204 eMolecules
    794063 PubChem
    15541411 PubChem: Thomson Pharma
    The data in this table is sourced from UniChem at EBI.