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(=C1SCCS1)CCC(=O)CC
InChI:
InChI=1S/C11H18OS2/c1-3-9(5-6-10(12)4-2)11-13-7-8-14-11/h3-8H2,1-2H3
InChIKey:
YDJFXLVHPNACDY-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, 20 °C): 230.2 (65)[M]+, 181 (31), 159 (100); HRMS–EI (m/z): [M] calcd for C11H18OS2, 230.0799; found, 230.0800.
Datasets