Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C11H10N2O2/c1-15-11(14)8-5-6-13-10-7(8)3-2-4-9(10)12/h2-6H,12H2,1H3
SMILES COC(=O)c1ccnc2c1cccc2N
InChI Key ZPAJMNYHAIROSQ-UHFFFAOYSA-N
Molecular Formula C11H10N2O2
Exact Mass 202.209 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/ZPAJMNYHAIROSQ-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/ZPAJMNYHAIROSQ-UHFFFAOYSA-N/CHMO0000593
Version
Author Alexander Hoffmann
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-10-10
Related Molecule
  • methyl 8-aminoquinoline-4-carboxylate
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    11973493 surechembl
    68183301 pubchem
    Molport-047-975-700 molport
    The data in this table is sourced from UniChem at EBI.