Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C15H9BrINO/c16-14-11-5-2-1-4-10(11)7-8-13(14)19-15-12(17)6-3-9-18-15/h1-9H
SMILES Ic1cccnc1Oc1ccc2c(c1Br)cccc2
InChI Key HEJRWAHGCHPOOZ-UHFFFAOYSA-N
Molecular Formula C15H9BrINO
Exact Mass 426.047 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/HEJRWAHGCHPOOZ-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/HEJRWAHGCHPOOZ-UHFFFAOYSA-N/CHMO0000593
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-10-16
Related Molecule
  • 2-(1-bromonaphthalen-2-yl)oxy-3-iodopyridine
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    title : SG-V4304 Waschen

    date : 20240827

    starting time : 16.50 h

    label : SG-3812

    id : 321910

    Solvent : DMSO

    temperature : 300.0 K

    PULPROG : zg30

    number of scans : 16 scans

    instrument : spect

    Data-Source Molecule ID Data-Source
    No additional information available for this Dataset.