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

Formula: C13H17N7


Canonical SMILES:
CC(n1cnc2c1ncnc2NCCc1nc[nH]c1)C
InChI:
InChI=1S/C13H17N7/c1-9(2)20-8-19-11-12(17-7-18-13(11)20)15-4-3-10-5-14-6-16-10/h5-9H,3-4H2,1-2H3,(H,14,16)(H,15,17,18)
InChIKey:
XQPQVJCRSFETLW-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˜ = 3377, 2982, 1624, 1579, 1537, 1483, 1408, 1358, 1332, 1232,1138, 1102, 1077, 982, 938, 827, 796, 650cm–1.
Datasets