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.

 

infrared absorption spectroscopy (IR) 
Author: Simone Gräßle
Analysis DOI:
Analysis ID:
Content:   
IR (ATR): ν˜ =3266, 2989, 1746, 1716, 1615, 1579,1480, 1441, 1401, 1375, 1346, 1301, 1277, 1234, 1165, 1126, 1006, 978, 902,878, 842, 798, 727, 703, 681, 653, 638, 598, 531, 502, 470, 432cm–1.
Datasets