Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C17H15F6N5/c1-9(2)28-8-27-13-14(25-7-26-15(13)28)24-6-10-3-11(16(18,19)20)5-12(4-10)17(21,22)23/h3-5,7-9H,6H2,1-2H3,(H,24,25,26)
SMILES CC(n1cnc2c1ncnc2NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C
InChI Key OTDDRQAYVRAWGQ-UHFFFAOYSA-N
Molecular Formula C17H15F6N5
Exact Mass 403.325 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/OTDDRQAYVRAWGQ-UHFFFAOYSA-N/NMR/13C/CDCl3/100
License URL
Source https://www.chemotion-repository.net/inchikey/OTDDRQAYVRAWGQ-UHFFFAOYSA-N/NMR/13C/CDCl3/100
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataPublished 2014-05-27
Related Molecule
  • N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-9-propan-2-ylpurin-6-amine
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    73427284 PubChem
    The data in this table is sourced from UniChem at EBI.