Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C8H6BrF3N2/c9-6-3-1-5(2-4-6)7(13-14-7)8(10,11)12/h1-4,13-14H
SMILES FC(C1(NN1)c1ccc(cc1)Br)(F)F
InChI Key JQGKKXVKQXLIPI-UHFFFAOYSA-N
Molecular Formula C8H6BrF3N2
Exact Mass 267.046 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/JQGKKXVKQXLIPI-UHFFFAOYSA-N/NMR/1H/CDCl3/250
License URL
Source https://www.chemotion-repository.net/inchikey/JQGKKXVKQXLIPI-UHFFFAOYSA-N/NMR/1H/CDCl3/250
Version
Author Irina Protasova
Maintainer Chemotion Repository
Language english
MetadataPublished 2014-05-27
Related Molecule
  • 3-(4-bromophenyl)-3-(trifluoromethyl)diaziridine
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    17756144 pubchem
    The data in this table is sourced from UniChem at EBI.