Dataset

correlation spectroscopy (COSY)

dataset for correlation spectroscopy (COSY)

Chemical Information

molecular Image
InChI InChI=1S/C6H4F3IN2/c7-6(8,9)3-1-4(10)5(11)12-2-3/h1-2H,(H2,11,12)
SMILES Nc1ncc(cc1I)C(F)(F)F
InChI Key VOBRARFDTYAAFC-UHFFFAOYSA-N
Exact Mass 288.009 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/VOBRARFDTYAAFC-UHFFFAOYSA-N/CHMO0000599
License URL
Source https://www.chemotion-repository.net/inchikey/VOBRARFDTYAAFC-UHFFFAOYSA-N/CHMO0000599
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataPublished 2026-03-30
Related Molecule
  • 3-iodo-5-(trifluoromethyl)pyridin-2-amine
    • Field Value
    Measurement Technique correlation spectroscopy
    Measurement Variables
    date : 2026-02-19

    starting time : 14:12:56 UTC

    creator : Simone Gräßle

    Solvent : DMSO

    temperature : 298.000875467427 K

    PULPROG : cosygpppqf

    number of scans : 1 scans

    instrument : Avance NEO 400

    Name : TopSpin

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