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

Formula: C16H20OS2


Canonical SMILES:
CCC(=O)CC(C(=C1SCCS1)c1ccccc1)C
InChI:
InChI=1S/C16H20OS2/c1-3-14(17)11-12(2)15(16-18-9-10-19-16)13-7-5-4-6-8-13/h4-8,12H,3,9-11H2,1-2H3
InChIKey:
GQDXLOBJYIWLJL-UHFFFAOYSA-N
Exact Mass:
Crosslinks:   


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

 

mass spectrometry (MS) 
Author: Simone Gräßle
Analysis DOI:
Analysis ID:
Content:   
EI (m/z, 70 eV, 40 °C): 292 (3) [M]+, 221 (7), 84 (100); HRMS–EI (m/z): [M]+ calcd for C16H20OS2, 292.0950; found, 292.0949.
Datasets