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

Formula: C15H18OS2


Canonical SMILES:
CCC(=O)CCC(=C1SCCS1)c1ccccc1
InChI:
InChI=1S/C15H18OS2/c1-2-13(16)8-9-14(15-17-10-11-18-15)12-6-4-3-5-7-12/h3-7H,2,8-11H2,1H3
InChIKey:
MQHLDGLJNBYOQQ-UHFFFAOYSA-N
Exact Mass:
Crosslinks:   


Published on 2018-04-28This work is licensed under a Creative Commons Attribution-ShareAlike 4.0 International License.

 

13C nuclear magnetic resonance spectroscopy (13C NMR) 
Author: Simone Gräßle
Analysis DOI:
Analysis ID:
Content:   
13C NMR (100 MHz, CDCl3, ppm) δ = 7.7, 32.9, 35.8, 37.8, 37.8, 40.2, 126.5, 127.0, 128.0 (2C), 128.3 (2C), 134.2, 142.0, 210.7.
Datasets