This information is based on the molecular structure shown on the left side. For a decoupled sample, please refer to its individual details.

Formula: C17H15F6N5


Canonical SMILES:
CC(n1cnc2c1ncnc2NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C
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)
InChIKey:
OTDDRQAYVRAWGQ-UHFFFAOYSA-N
Exact Mass:
Crosslinks:   


Published on 2014-05-27This work is licensed under a Creative Commons Attribution-ShareAlike 4.0 International License.

 

1H nuclear magnetic resonance spectroscopy (1H NMR) 
Author: Simone Gräßle
Analysis DOI:
Analysis ID:
Content:   
1H NMR (400 MHz, Chloroform-d), δ = 8.34 (s, 1 H), 7.81 (s, 2 H), 7.70 (d, J = 14.2 Hz, 2 H), 7.56 (s, 1 H), 5.04 – 4.97 (bs, 2 H), 4.79 (p, J = 6.8 Hz, 1 H), 1.53 (d, J = 6.8 Hz, 6 H).
Datasets