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:
CC(C(C(=C1SCCS1)C)CC(=O)C)C
InChI:
InChI=1S/C12H20OS2/c1-8(2)11(7-9(3)13)10(4)12-14-5-6-15-12/h8,11H,5-7H2,1-4H3
InChIKey:
LBBLNZCUATYWIS-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, 30 °C): 244 (37) [M]+, 201 (100), 159 (38); HRMS–EI (m/z): [M] calcd for C12H20OS2, 244.0950; found, 244.0952.
Datasets