Dataset

correlation spectroscopy (COSY)

dataset for correlation spectroscopy (COSY)

Chemical Information

molecular Image
InChI InChI=1S/C6H8N2/c1-7-6-4-2-3-5-8-6/h2-5H,1H3,(H,7,8)
SMILES CNc1ccccn1
InChI Key SVEUVITYHIHZQE-UHFFFAOYSA-N
Molecular Formula C6H8N2
Exact Mass 108.141 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/SVEUVITYHIHZQE-UHFFFAOYSA-N/CHMO0000599
License URL
Source https://www.chemotion-repository.net/inchikey/SVEUVITYHIHZQE-UHFFFAOYSA-N/CHMO0000599
Version
Author Fabian Schönle
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-11-04
Related Molecule
  • N-methylpyridin-2-amine
    • Field Value
    Measurement Technique correlation spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    20727 PubChem
    MCULE-5967125973 Mcule
    VONNET CCDC
    DTXSID60196670 EPA CompTox Dashboard
    ZINC000000166987 ZINC
    J51.330J Nikkaji
    CB9352100 ChemicalBook
    SCHEMBL24122390 SureChEMBL
    SCHEMBL22421 SureChEMBL
    488509 eMolecules
    15910265 PubChem: Thomson Pharma
    4597-87-9 ACToR
    20027710 NMRShiftDB
    The data in this table is sourced from UniChem at EBI.