Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C14H10N2O/c17-14-13(10-6-2-1-3-7-10)15-11-8-4-5-9-12(11)16-14/h1-9H,(H,16,17)
SMILES O=c1[nH]c2ccccc2nc1c1ccccc1
InChI Key ZBBQSGVRBQKLLE-UHFFFAOYSA-N
Molecular Formula C14H10N2O
Exact Mass 222.242 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/ZBBQSGVRBQKLLE-UHFFFAOYSA-N/NMR/13C/CDCl3/125.1
License URL
Source https://www.chemotion-repository.net/inchikey/ZBBQSGVRBQKLLE-UHFFFAOYSA-N/NMR/13C/CDCl3/125.1
Version
Author Patrick Hodapp
Maintainer Chemotion Repository
Language english
MetadataPublished 2016-04-05
Related Molecule
  • 3-phenyl-1H-quinoxalin-2-one
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:108113 chebi
    CHEMBL1392897 chembl
    1901480 surechembl
    29820118 surechembl
    3593759 surechembl
    346902 pubchem
    MUYQUU CCDC
    108024 bindingdb
    Molport-000-158-270 molport
    Molport-000-807-930 molport
    The data in this table is sourced from UniChem at EBI.