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.

 

infrared absorption spectroscopy (IR) 
Author: Simone Gräßle
Analysis DOI:
Analysis ID:
Content:   
IR (ATR): ν˜ = 3271, 2990, 1622, 1579, 1536, 1478, 1456, 1421, 1401, 1371,1320, 1265, 1223, 1155, 1112, 1066, 1013, 979, 948, 898, 881, 827, 795, 749,694, 646, 627, 590, 530, 483, 402cm–1.
Datasets