Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C10H8N2O/c1-7(13)10-6-11-8-4-2-3-5-9(8)12-10/h2-6H,1H3
SMILES CC(=O)c1cnc2c(n1)cccc2
InChI Key SWGILLQQUULMJB-UHFFFAOYSA-N
Exact Mass 172.183 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/SWGILLQQUULMJB-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/SWGILLQQUULMJB-UHFFFAOYSA-N/CHMO0000595
Version
Author Laura Holzhauer
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-03-16
Related Molecule
  • 1-quinoxalin-2-ylethanone
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    4642665 surechembl
    11105814 pubchem
    Molport-006-390-357 molport
    The data in this table is sourced from UniChem at EBI.