Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C8H6F3NO2/c1-5-3-2-4-6(12(13)14)7(5)8(9,10)11/h2-4H,1H3
SMILES [O-][N+](=O)c1cccc(c1C(F)(F)F)C
InChI Key QSNTZLUZBNSESZ-UHFFFAOYSA-N
Molecular Formula C8H6F3NO2
Exact Mass 205.134 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/QSNTZLUZBNSESZ-UHFFFAOYSA-N/NMR/1H/CDCl3/400
License URL
Source https://www.chemotion-repository.net/inchikey/QSNTZLUZBNSESZ-UHFFFAOYSA-N/NMR/1H/CDCl3/400
Version
Author Andreas Hafner
Maintainer Chemotion Repository
Language english
MetadataPublished 2014-05-27
Related Molecule
  • 1-methyl-3-nitro-2-(trifluoromethyl)benzene
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    10338398 surechembl
    17995664 pubchem
    Molport-016-578-624 molport
    The data in this table is sourced from UniChem at EBI.