Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C15H11N3/c1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13/h1-11H
SMILES c1ccc(nc1)c1cccc(n1)c1ccccn1
InChI Key DRGAZIDRYFYHIJ-UHFFFAOYSA-N
Exact Mass 233.268 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/DRGAZIDRYFYHIJ-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/DRGAZIDRYFYHIJ-UHFFFAOYSA-N/CHMO0000595
Version
Author Elena Foitzik
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-02-21
Related Molecule
  • 2,6-dipyridin-2-ylpyridine
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Title : EF-CCP2565

    Date : 20240201

    Start time : 23.10 h

    Label : CCP-2411

    ID : 193919

    Solvent : chloroform-D1 (CDCl3)

    Temperature : 300.0 K K

    Puls programme : zgpg30

    Number of scans : 1024

    Instrument : spect

    Title : EF-CCP2565

    Date : 20240202

    Start time : 1.54 h

    Label : CCP-2411

    ID : 193919

    Solvent : DMSO

    Temperature : 300.0 K K

    Puls programme : zgpg30

    Number of scans : 1024

    Instrument : spect

    Data-Source Molecule ID Data-Source
    CHEBI:245199 chebi
    CHEMBL89445 chembl
    29357603 surechembl
    57442 surechembl
    70848 pubchem
    G5E357ISH5 fdasrs
    PD011766 probes_and_drugs
    VURYOW CCDC
    90780 brenda
    HMDB0245379 hmdb
    Molport-001-758-634 molport
    38924 bindingdb
    The data in this table is sourced from UniChem at EBI.