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

Formula: C13H22OS2


Canonical SMILES:
CCCCC(C(=C1SCCS1)C)CC(=O)C
InChI:
InChI=1S/C13H22OS2/c1-4-5-6-12(9-10(2)14)11(3)13-15-7-8-16-13/h12H,4-9H2,1-3H3
InChIKey:
OOWHPIJVOYHULD-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, 70 °C): 258 (46) [M]+, 201 (100), 159 (25), 145 (21); HRMS–EI (m/z): [M]+ calcd for C13H22OS2, 258.1107; found, 258.1108.
Datasets