Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C16H14N2/c1-2-13-16(12-8-4-3-5-9-12)18-15-11-7-6-10-14(15)17-13/h3-11H,2H2,1H3
SMILES CCc1nc2ccccc2nc1c1ccccc1
InChI Key ALWWYBOVTKJSMV-UHFFFAOYSA-N
Molecular Formula C16H14N2
Exact Mass 234.296 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/ALWWYBOVTKJSMV-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/ALWWYBOVTKJSMV-UHFFFAOYSA-N/CHMO0000595
Version
Author Jérôme Klein
Maintainer Chemotion Repository
Language english
MetadataPublished 2020-04-21
Related Molecule
  • 2-ethyl-3-phenylquinoxaline
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    J2.467.485A Nikkaji
    12448317 PubChem
    SCHEMBL13242408 SureChEMBL
    The data in this table is sourced from UniChem at EBI.