Dataset

correlation spectroscopy (COSY)

dataset for correlation spectroscopy (COSY)

Chemical Information

molecular Image
InChI InChI=1S/C15H9Br2N3/c16-14-8-2-6-12(19-14)10-4-1-5-11(18-10)13-7-3-9-15(17)20-13/h1-9H
SMILES Brc1cccc(n1)c1cccc(n1)c1cccc(n1)Br
InChI Key PYMBATDYUCQLBC-UHFFFAOYSA-N
Exact Mass 391.060 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/PYMBATDYUCQLBC-UHFFFAOYSA-N/CHMO0000599
License URL
Source https://www.chemotion-repository.net/inchikey/PYMBATDYUCQLBC-UHFFFAOYSA-N/CHMO0000599
Version
Author Fabian Schönle
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-05-12
Related Molecule
  • 2,6-bis(6-bromopyridin-2-yl)pyridine
    • Field Value
    Measurement Technique correlation spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    16834614 PubChem: Thomson Pharma
    SCHEMBL700152 SureChEMBL
    100366-66-3 ACToR
    4226981 PubChem
    514804 eMolecules
    J673.654H Nikkaji
    DTXSID90401022 EPA CompTox Dashboard
    MCULE-4830550916 Mcule
    ZINC000000641952 ZINC
    The data in this table is sourced from UniChem at EBI.