Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Information

molecular Image
InChI InChI=1S/C8H5F3N2/c9-8(10,11)6-3-1-2-5(4-12)7(6)13/h1-3H,13H2
SMILES N#Cc1cccc(c1N)C(F)(F)F
InChI Key UHOSMRSMWHLHJO-UHFFFAOYSA-N
Molecular Formula C8H5F3N2
Exact Mass 186.134 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/UHOSMRSMWHLHJO-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/UHOSMRSMWHLHJO-UHFFFAOYSA-N/CHMO0000595
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-09-12
Related Molecule
  • 2-amino-3-(trifluoromethyl)benzonitrile
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    73868 PubChem
    6255053 eMolecules
    SCHEMBL3657863 SureChEMBL
    1483-54-1 ACToR
    CB9356658 ChemicalBook
    ZINC000002003982 ZINC
    The data in this table is sourced from UniChem at EBI.