Dataset

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

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

Chemical Information

molecular Image
InChI InChI=1S/C17H18BrN3/c1-17(2,3)20-16-15(12-8-4-5-9-13(12)18)19-14-10-6-7-11-21(14)16/h4-11,20H,1-3H3
SMILES Brc1ccccc1c1nc2n(c1NC(C)(C)C)cccc2
InChI Key ZHNWMBYOQOJQTI-UHFFFAOYSA-N
Molecular Formula C17H18BrN3
Exact Mass 344.249 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/ZHNWMBYOQOJQTI-UHFFFAOYSA-N/CHMO0001150
License URL
Source https://www.chemotion-repository.net/inchikey/ZHNWMBYOQOJQTI-UHFFFAOYSA-N/CHMO0001150
Version
Author Mareen Stahlberger
Maintainer Chemotion Repository
Language english
MetadataPublished 2022-09-23
Related Molecule
  • 2-(2-bromophenyl)-N-tert-butylimidazo[1,2-a]pyridin-3-amine
    • Field Value
    Measurement Technique 1H–1H correlation spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    57337115 PubChem
    J3.043.329G Nikkaji
    136346244 PubChem: Thomson Pharma
    The data in this table is sourced from UniChem at EBI.