Dataset

1H--1H correlation spectroscopy (1H-1H COSY)

dataset for 1H--1H correlation spectroscopy (1H-1H COSY)

Chemical Information

molecular Image
InChI InChI=1S/C9H8N2/c10-9-3-1-2-7-4-5-11-6-8(7)9/h1-6H,10H2
SMILES Nc1cccc2c1cncc2
InChI Key GUSYANXQYUJOBH-UHFFFAOYSA-N
Molecular Formula C9H8N2
Exact Mass 144.173 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/GUSYANXQYUJOBH-UHFFFAOYSA-N/CHMO0001150
License URL
Source https://www.chemotion-repository.net/inchikey/GUSYANXQYUJOBH-UHFFFAOYSA-N/CHMO0001150
Version
Author Jana Alpin
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-09-06
Related Molecule
  • isoquinolin-8-amine
    • Field Value
    Measurement Technique 1H–1H correlation spectroscopy
    Measurement Variables
    title : CCP-3701-2

    date : 20240418

    starting time : 15.51 h

    label : CCP-3531

    id : 291914

    Solvent : chloroform-D1 (CDCl3)

    temperature : 300.0 K

    PULPROG : cosygpppqf

    number of scans : 1 scans

    instrument : spect

    Data-Source Molecule ID Data-Source
    CHEMBL384666 chembl
    29557996 surechembl
    619775 surechembl
    13927912 pubchem
    VN57W99VQT fdasrs
    Molport-000-140-095 molport
    The data in this table is sourced from UniChem at EBI.