Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C15H11F6N5/c16-14(17,18)6-26-8-25-11-12(23-7-24-13(11)26)22-5-9-2-1-3-10(4-9)15(19,20)21/h1-4,7-8H,5-6H2,(H,22,23,24)
SMILES FC(Cn1cnc2c1ncnc2NCc1cccc(c1)C(F)(F)F)(F)F
InChI Key DBALJAXTFXCNRG-UHFFFAOYSA-N
Molecular Formula C15H11F6N5
Exact Mass 375.272 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/DBALJAXTFXCNRG-UHFFFAOYSA-N/NMR/13C/CDCl3/100
License URL
Source https://www.chemotion-repository.net/inchikey/DBALJAXTFXCNRG-UHFFFAOYSA-N/NMR/13C/CDCl3/100
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataPublished 2014-05-27
Related Molecule
  • 9-(2,2,2-trifluoroethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]purin-6-amine
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    73427282 PubChem
    The data in this table is sourced from UniChem at EBI.