Dataset

correlation spectroscopy (COSY)

dataset for correlation spectroscopy (COSY)

Chemical Information

molecular Image
InChI InChI=1S/C13H9ClN2/c14-11-7-4-8-16-9-12(15-13(11)16)10-5-2-1-3-6-10/h1-9H
SMILES Clc1cccn2c1nc(c2)c1ccccc1
InChI Key GSUJVBYDVUYTAD-UHFFFAOYSA-N
Molecular Formula C13H9ClN2
Exact Mass 228.677 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/GSUJVBYDVUYTAD-UHFFFAOYSA-N/CHMO0000599
License URL
Source https://www.chemotion-repository.net/inchikey/GSUJVBYDVUYTAD-UHFFFAOYSA-N/CHMO0000599
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataPublished 2023-03-03
Related Molecule
  • 8-chloro-2-phenylimidazo[1,2-a]pyridine
    • Field Value
    Measurement Technique correlation spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    14970093 PubChem: Thomson Pharma
    9991396 PubChem
    ZINC000034062610 ZINC
    J3.236.474H Nikkaji
    SCHEMBL24307129 SureChEMBL
    The data in this table is sourced from UniChem at EBI.