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

Formula: C11H17N5S


Canonical SMILES:
CSCCNc1ncnc2c1ncn2C(C)C
InChI:
InChI=1S/C11H17N5S/c1-8(2)16-7-15-9-10(12-4-5-17-3)13-6-14-11(9)16/h6-8H,4-5H2,1-3H3,(H,12,13,14)
InChIKey:
NEHPRVYJYMNUAK-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) 
Authors: Simone Gräßle - Nicole Jung
Analysis DOI:
Analysis ID:
Content:   
13C NMR (101 MHz, CDCl3), δ = 154.8, 152.8, 149.1, 137.5, 120.3, 47.1, 39.4, 34.1, 22.9 (2 C), 15.3.
Datasets