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

Formula: C14H16OS2


Canonical SMILES:
CC(=O)CCC(=C1SCCS1)c1ccccc1
InChI:
InChI=1S/C14H16OS2/c1-11(15)7-8-13(14-16-9-10-17-14)12-5-3-2-4-6-12/h2-6H,7-10H2,1H3
InChIKey:
LXKWSUYFYQCLRX-UHFFFAOYSA-N
Exact Mass:
Crosslinks:   


Published on 2018-04-27This 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, 50 °C): 264 (70) [M]+, 207 (100), 181 (33), 131 (33), 69 (51); HRMS–EI (m/z): [M] calcd for C14H16OS2, 264.0643; found, 264.0642.
Datasets