Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C11H12N2O/c1-7(2)10-11(14)13-9-6-4-3-5-8(9)12-10/h3-7H,1-2H3,(H,13,14)
SMILES CC(c1nc2ccccc2[nH]c1=O)C
InChI Key CWFPSKVBKAPBPV-UHFFFAOYSA-N
Molecular Formula C11H12N2O
Exact Mass 188.226 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/CWFPSKVBKAPBPV-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/CWFPSKVBKAPBPV-UHFFFAOYSA-N/CHMO0000595
Version
Author Laura Holzhauer
Maintainer Chemotion Repository
Language english
MetadataPublished 2022-02-11
Related Molecule
  • 3-propan-2-yl-1H-quinoxalin-2-one
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    491327 PubChem
    MCULE-5828133975 Mcule
    J1.412.811E Nikkaji
    CHEMBL4786640 ChEMBL
    SCHEMBL12794452 SureChEMBL
    The data in this table is sourced from UniChem at EBI.