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

Formula: C16H16F3N5


Canonical SMILES:
CC(n1cnc2c1ncnc2NCc1ccc(cc1)C(F)(F)F)C
InChI:
InChI=1S/C16H16F3N5/c1-10(2)24-9-23-13-14(21-8-22-15(13)24)20-7-11-3-5-12(6-4-11)16(17,18)19/h3-6,8-10H,7H2,1-2H3,(H,20,21,22)
InChIKey:
ZMCDNTWMTVMOAV-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 = 8.36 (s, 1 H), 7.56 (s, 1 H), 7.54 - 7.52 (m, 2 H), 7.47 - 7.45 (m, 2 H), 7.26 (s, 1 H), 4.89 (m, 2 H), 4.78 (p, J = 6.8 Hz, 1 H), 1.53 (d, J = 6.8 Hz, 6 H).
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