Dataset

correlation spectroscopy (COSY)

dataset for correlation spectroscopy (COSY)

Chemical Information

molecular Image
InChI InChI=1S/C16H11N3O2/c20-16(21)11-9-14(12-5-1-3-7-17-12)19-15(10-11)13-6-2-4-8-18-13/h1-10H,(H,20,21)
SMILES OC(=O)c1cc(nc(c1)c1ccccn1)c1ccccn1
InChI Key ZYTWXMBGOUJDHJ-UHFFFAOYSA-N
Molecular Formula C16H11N3O2
Exact Mass 277.277 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/ZYTWXMBGOUJDHJ-UHFFFAOYSA-N/CHMO0000599
License URL
Source https://www.chemotion-repository.net/inchikey/ZYTWXMBGOUJDHJ-UHFFFAOYSA-N/CHMO0000599
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataPublished 2023-12-01
Related Molecule
  • 2,6-dipyridin-2-ylpyridine-4-carboxylic acid
    • Field Value
    Measurement Technique correlation spectroscopy
    Measurement Variables
    title : CCP-3671

    date : 20231129

    starting time : 6.33 h

    label : CCP-3501

    id : 285732

    Solvent : DMSO

    temperature : 300.0 K

    PULPROG : cosygpppqf

    number of scans : 1 scans

    instrument : spect

    Data-Source Molecule ID Data-Source
    29904774 surechembl
    863317 surechembl
    2762749 pubchem
    Molport-003-824-780 molport
    The data in this table is sourced from UniChem at EBI.