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

Formula: C16H12F3N5


Canonical SMILES:
C#CCn1cnc2c1ncnc2NCc1cccc(c1)C(F)(F)F
InChI:
InChI=1S/C16H12F3N5/c1-2-6-24-10-23-13-14(21-9-22-15(13)24)20-8-11-4-3-5-12(7-11)16(17,18)19/h1,3-5,7,9-10H,6,8H2,(H,20,21,22)
InChIKey:
NHQCACBFNKEOQR-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˜ = 3304,3111, 1603, 1558, 1468, 1448, 1414, 1385, 1352, 1325, 1267, 1222, 1164, 1115,1071, 986, 958, 918, 885, 793, 766, 699, 686, 652, 597, 569, 473, 429cm–1.
Datasets