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

Formula: C15H18OS2


Canonical SMILES:
CC(C(=C1SCCS1)c1ccccc1)CC(=O)C
InChI:
InChI=1S/C15H18OS2/c1-11(10-12(2)16)14(15-17-8-9-18-15)13-6-4-3-5-7-13/h3-7,11H,8-10H2,1-2H3
InChIKey:
RCALJRZMLQRHLX-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, 90 °C): 278 (41) [M]+, 221 (100), 185 (8); HRMS–EI (m/z): [M]+ calcd for C15H18OS2, 278.0794; found, 278.0792.
Datasets