Dataset

correlation spectroscopy (COSY)

dataset for correlation spectroscopy (COSY)

Chemical Information

molecular Image
InChI InChI=1S/C11H8N6/c1-8-6-11(14-16-13)15-17(8)10-4-2-9(7-12)3-5-10/h2-6H,1H3
SMILES [N-]=[N+]=Nc1nn(c(c1)C)c1ccc(cc1)C#N
InChI Key KIQBPEXSAZKVRR-UHFFFAOYSA-N
Molecular Formula C11H8N6
Exact Mass 224.221 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/KIQBPEXSAZKVRR-UHFFFAOYSA-N/CHMO0000599
License URL
Source https://www.chemotion-repository.net/inchikey/KIQBPEXSAZKVRR-UHFFFAOYSA-N/CHMO0000599
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-02-14
Related Molecule
  • 4-(3-azido-5-methylpyrazol-1-yl)benzonitrile
    • Field Value
    Measurement Technique correlation spectroscopy
    Measurement Variables
    title : SG-V3998 (1-5)

    date : 20231019

    starting time : 14.16 h

    label : SG-3377

    id : 279758

    Solvent : chloroform-D1 (CDCl3)

    temperature : 300.0 K

    PULPROG : cosygpppqf

    number of scans : 1 scans

    instrument : spect

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