Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C20H23F3N6O2/c1-19(2,3)31-18(30)24-7-8-29-12-28-15-16(26-11-27-17(15)29)25-10-13-5-4-6-14(9-13)20(21,22)23/h4-6,9,11-12H,7-8,10H2,1-3H3,(H,24,30)(H,25,26,27)
SMILES O=C(OC(C)(C)C)NCCn1cnc2c1ncnc2NCc1cccc(c1)C(F)(F)F
InChI Key LZLOWOKZZGJPIW-UHFFFAOYSA-N
Molecular Formula C20H23F3N6O2
Exact Mass 436.431 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/LZLOWOKZZGJPIW-UHFFFAOYSA-N/NMR/13C/CDCl3/100
License URL
Source https://www.chemotion-repository.net/inchikey/LZLOWOKZZGJPIW-UHFFFAOYSA-N/NMR/13C/CDCl3/100
Version
Author Nicole Jung
Maintainer Chemotion Repository
Language english
MetadataPublished 2014-05-27
Related Molecule
  • tert-butyl N-[2-[6-[[3-(trifluoromethyl)phenyl]methylamino]purin-9-yl]ethyl]carbamate
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    73427252 PubChem
    The data in this table is sourced from UniChem at EBI.