Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C14H9BrN2/c15-14-13(10-6-2-1-3-7-10)16-11-8-4-5-9-12(11)17-14/h1-9H
SMILES Brc1nc2ccccc2nc1c1ccccc1
InChI Key VSSFGRBIDNAUHK-UHFFFAOYSA-N
Molecular Formula C14H9BrN2
Exact Mass 285.139 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/VSSFGRBIDNAUHK-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/VSSFGRBIDNAUHK-UHFFFAOYSA-N/CHMO0000593
Version
Author Jérôme Klein
Maintainer Chemotion Repository
Language english
MetadataPublished 2020-04-08
Related Molecule
  • 2-bromo-3-phenylquinoxaline
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    SCHEMBL17548842 SureChEMBL
    118909215 PubChem
    The data in this table is sourced from UniChem at EBI.