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

Formula: C15H11F6N5


Canonical SMILES:
FC(Cn1cnc2c1ncnc2NCc1cccc(c1)C(F)(F)F)(F)F
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)
InChIKey:
DBALJAXTFXCNRG-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 = 8.42 (s, 1 H), 7.71 (s, 1 H), 7.62 (s, 1 H), 7.51 – 7.56 (m, 2 H), 7.42 (t, J = 7.7 Hz, 1 H), 6.89 (bs, 1 H), 4.98 – 4.91 (bs, 2 H), 4.78 (q, J = 8.5 Hz, 2 H).
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