Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C11H10N2O/c1-7-11(8(2)14)13-10-6-4-3-5-9(10)12-7/h3-6H,1-2H3
SMILES CC(=O)c1nc2ccccc2nc1C
InChI Key XXKIXPWTFVBBJF-UHFFFAOYSA-N
Exact Mass 186.210 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/XXKIXPWTFVBBJF-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/XXKIXPWTFVBBJF-UHFFFAOYSA-N/CHMO0000595
Version
Author Laura Holzhauer
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-03-16
Related Molecule
  • 1-(3-methylquinoxalin-2-yl)ethanone
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    4833903 surechembl
    12405632 pubchem
    UWORAB CCDC
    Molport-016-630-999 molport
    The data in this table is sourced from UniChem at EBI.