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

Formula: C17H22OS2


Canonical SMILES:
CC(C(C(=C1SCCS1)c1ccccc1)CC(=O)C)C
InChI:
InChI=1S/C17H22OS2/c1-12(2)15(11-13(3)18)16(17-19-9-10-20-17)14-7-5-4-6-8-14/h4-8,12,15H,9-11H2,1-3H3
InChIKey:
AJUPULBPXRSZPK-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, 60 °C): 306 (38) [M]+, 263 (100), 221 (52), 191 (11), 113 (13), 69 (19); HRMS–EI (m/z): [M]+ calcd for C17H22OS2, 306.1107; found, 306.1108.
Datasets