Dataset

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

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

Chemical Information

molecular Image
InChI InChI=1S/C5H3BrIN/c6-5-4(7)2-1-3-8-5/h1-3H
SMILES Ic1cccnc1Br
InChI Key FZBHCYSESMFQJL-UHFFFAOYSA-N
Molecular Formula C5H3BrIN
Exact Mass 283.892 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/FZBHCYSESMFQJL-UHFFFAOYSA-N/CHMO0001150
License URL
Source https://www.chemotion-repository.net/inchikey/FZBHCYSESMFQJL-UHFFFAOYSA-N/CHMO0001150
Version
Author Helena Šimek Tosino
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-04-30
Related Molecule
  • 2-bromo-3-iodopyridine
    • Field Value
    Measurement Technique 1H–1H correlation spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    12919113 eMolecules
    16450290 PubChem: Thomson Pharma
    SCHEMBL1996521 SureChEMBL
    11358068 PubChem
    ZINC000034498754 ZINC
    DTXSID10463506 EPA CompTox Dashboard
    J1.272.608B Nikkaji
    CB51471110 ChemicalBook
    The data in this table is sourced from UniChem at EBI.