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:
CCC(=C1SCCS1)C(C(C)C)CC(=O)C
InChI:
InChI=1S/C13H22OS2/c1-5-11(13-15-6-7-16-13)12(9(2)3)8-10(4)14/h9,12H,5-8H2,1-4H3
InChIKey:
FYEONQBYGJVCGM-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): 258 (29) [M]+, 215 (100), 173 (47); HRMS–EI (m/z): [M]+ calcd for C13H22OS2, 258.1107; found, 258.1106.
Datasets