Dataset

correlation spectroscopy (COSY)

dataset for correlation spectroscopy (COSY)

Chemical Information

molecular Image
InChI InChI=1S/C12H8N2/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1/h1-8H
SMILES c1ccc2c(n1)c1ncccc1cc2
InChI Key DGEZNRSVGBDHLK-UHFFFAOYSA-N
Molecular Formula C12H8N2
Exact Mass 180.205 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/DGEZNRSVGBDHLK-UHFFFAOYSA-N/CHMO0000599
License URL
Source https://www.chemotion-repository.net/inchikey/DGEZNRSVGBDHLK-UHFFFAOYSA-N/CHMO0000599
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-01-29
Related Molecule
  • 1,10-phenanthroline
    • Field Value
    Measurement Technique correlation spectroscopy
    Measurement Variables
    title : CCP-953

    date : 20240124

    starting time : 11.59 h

    label : CCP-917

    id : 138153

    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.