Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Information

molecular Image
InChI InChI=1S/C16H17BrN4/c1-16(2,3)20-15-13(11-7-6-9-18-14(11)17)19-12-8-4-5-10-21(12)15/h4-10,20H,1-3H3
SMILES Brc1ncccc1c1nc2n(c1NC(C)(C)C)cccc2
InChI Key HQVPHYCHTWJXNH-UHFFFAOYSA-N
Molecular Formula C16H17BrN4
Exact Mass 345.237 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/HQVPHYCHTWJXNH-UHFFFAOYSA-N/CHMO0000593.1
License URL
Source https://www.chemotion-repository.net/inchikey/HQVPHYCHTWJXNH-UHFFFAOYSA-N/CHMO0000593.1
Version
Author Mareen Stahlberger
Maintainer Chemotion Repository
Language english
MetadataPublished 2022-04-14
Related Molecule
  • 2-(2-bromopyridin-3-yl)-N-tert-butylimidazo[1,2-a]pyridin-3-amine
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    163197173 PubChem
    The data in this table is sourced from UniChem at EBI.