Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C13H13NO/c1-10-8-12(9-15)11(2)14(10)13-6-4-3-5-7-13/h3-9H,1-2H3
SMILES O=Cc1cc(n(c1C)c1ccccc1)C
InChI Key LNROIXNEIZSESG-UHFFFAOYSA-N
Molecular Formula C13H13NO
Exact Mass 199.248 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/LNROIXNEIZSESG-UHFFFAOYSA-N/NMR/13C/CDCl3/100
License URL
Source https://www.chemotion-repository.net/inchikey/LNROIXNEIZSESG-UHFFFAOYSA-N/NMR/13C/CDCl3/100
Version
Author Franziska Glaeser
Maintainer Chemotion Repository
Language english
MetadataPublished 2014-05-27
Related Molecule
  • 2,5-dimethyl-1-phenylpyrrole-3-carbaldehyde
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL2113933 chembl
    645648 surechembl
    66515 pubchem
    PW8ELR8SUD fdasrs
    PD097554 probes_and_drugs
    Molport-000-869-448 molport
    The data in this table is sourced from UniChem at EBI.