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

Formula: C11H18OS2


Canonical SMILES:
CCC(=O)CC(C(=C1SCCS1)C)C
InChI:
InChI=1S/C11H18OS2/c1-4-10(12)7-8(2)9(3)11-13-5-6-14-11/h8H,4-7H2,1-3H3
InChIKey:
AGKKZIFNAVODRD-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): 230 (100) [M]+, 159 (92), 57 (37); HRMS–EI (m/z): [M]+ calcd for C11H18OS2, 230.0794; found, 230.0795.
Datasets