Dataset

correlation spectroscopy (COSY)

dataset for correlation spectroscopy (COSY)

Chemical Information

molecular Image
InChI InChI=1S/C6H5N3/c7-4-5-1-2-9-6(8)3-5/h1-3H,(H2,8,9)
SMILES N#Cc1ccnc(c1)N
InChI Key GEEAYLFEIFJFGP-UHFFFAOYSA-N
Exact Mass 119.124 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/GEEAYLFEIFJFGP-UHFFFAOYSA-N/CHMO0000599
License URL
Source https://www.chemotion-repository.net/inchikey/GEEAYLFEIFJFGP-UHFFFAOYSA-N/CHMO0000599
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataPublished 2026-03-30
Related Molecule
  • 2-aminopyridine-4-carbonitrile
    • Field Value
    Measurement Technique correlation spectroscopy
    Measurement Variables
    date : 2026-02-07

    starting time : 00:18:07 UTC

    creator : Simone Gräßle

    Solvent : DMSO

    temperature : 300.0006 K

    PULPROG : cosygpppqf

    number of scans : 1 scans

    instrument : spect

    Name : TopSpin

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