Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Information

molecular Image
InChI InChI=1S/C15H13NO3/c1-19-11-8-6-10(7-9-11)16-14(17)12-4-2-3-5-13(12)15(16)18/h2-9,14,17H,1H3
SMILES COc1ccc(cc1)N1C(O)c2c(C1=O)cccc2
InChI Key GJYIWQYBISMEII-UHFFFAOYSA-N
Molecular Formula C15H13NO3
Exact Mass 255.269 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/GJYIWQYBISMEII-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/GJYIWQYBISMEII-UHFFFAOYSA-N/CHMO0000595
Version
Author Harald Kelm
Maintainer Chemotion Repository
Language english
MetadataPublished 2023-05-19
Related Molecule
  • 3-hydroxy-2-(4-methoxyphenyl)-3H-isoindol-1-one
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL1300465 chembl
    10555654 surechembl
    3688143 pubchem
    Molport-002-962-194 molport
    The data in this table is sourced from UniChem at EBI.