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

Formula: C12H20OS2


Canonical SMILES:
CCC(=C1SCCS1)C(CC(=O)CC)C
InChI:
InChI=1S/C12H20OS2/c1-4-10(13)8-9(3)11(5-2)12-14-6-7-15-12/h9H,4-8H2,1-3H3
InChIKey:
HNEMFLNWZMGKBV-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): 244 (34) [M]+, 173 (100), 163 (28); HRMS–EI (m/z): [M]+ calcd for C12H20OS2, 244.0950; found, 244.0950.
Datasets