Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C19H14N6/c1-14-11-19(22-25(14)17-9-7-15(12-20)8-10-17)24-13-18(21-23-24)16-5-3-2-4-6-16/h2-11,13H,1H3
SMILES N#Cc1ccc(cc1)n1nc(cc1C)n1nnc(c1)c1ccccc1
InChI Key QJHTUPAVPUUSNY-UHFFFAOYSA-N
Molecular Formula C19H14N6
Exact Mass 326.355 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/QJHTUPAVPUUSNY-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/QJHTUPAVPUUSNY-UHFFFAOYSA-N/CHMO0000595
Version
Author Nicolai Wippert
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-02-14
Related Molecule
  • 4-[5-methyl-3-(4-phenyltriazol-1-yl)pyrazol-1-yl]benzonitrile
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Title : SG-V4004 (15-36)

    Date : 20231024

    Start time : 15.14 h

    Label : SG-3384

    ID : 280416

    Solvent : chloroform-D1 (CDCl3)

    Temperature : 300.0 K K

    Puls programme : zgpg30

    Number of scans : 1024

    Instrument : spect

    Data-Source Molecule ID Data-Source
    No additional information available for this Dataset.