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

Formula: C13H15FN2S2


Canonical SMILES:
CCC(=C1SCCCS1)/N=N/c1ccc(cc1)F
InChI:
InChI=1S/C13H15FN2S2/c1-2-12(13-17-8-3-9-18-13)16-15-11-6-4-10(14)5-7-11/h4-7H,2-3,8-9H2,1H3/b16-15+
InChIKey:
WYTXTCCQUJCGJW-FOCLMDBBSA-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) 
Author: Bettina Stanek
Analysis DOI:
Analysis ID:
Content:   
1H NMR (300 MHz, CDCl3, ppm), δ = 0.98 (t, J = 7.4 Hz, 3 H, CH3), 2.15 (quin, J = 6.8 Hz, 2 H, CH2), 2.72 (q, J = 7.4 Hz, 2 H, CH2CH3), 2.99 (t, J = 6.8 Hz, 4 H, SCH2), 7.02-7.12 (m, 2 H, HAr), 7.70-7.79 (m, 2 H, HAr).
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