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

Formula: C12H16O2S2


Canonical SMILES:
COc1cc(ccc1OC)C1SCCCS1
InChI:
InChI=1S/C12H16O2S2/c1-13-10-5-4-9(8-11(10)14-2)12-15-6-3-7-16-12/h4-5,8,12H,3,6-7H2,1-2H3
InChIKey:
BYSFFOIEDQTZBD-UHFFFAOYSA-N
Exact Mass:
Crosslinks:   


Published on 2021-06-05This work is licensed under a Creative Commons Attribution-ShareAlike 4.0 International License.

 

electron ionisation mass spectrometry (EI-MS) 
Author: Sylvia Vanderheiden-Schroen1

1. Institute of Organic Chemistry, Karlsruhe Institute of Technology, Germany

Analysis DOI:
Analysis ID:
Content:   
MS (EI, 70 eV, 60 °C), m/z (%):257 (11) [M+H]+, 256 (69) [M]+, 183 (12), 182 (100), 181 (17), 177 (12), 151 (12), 58 (11). HRMS–EI (m/z): (C12H16O2S2) [M]+ calcd for 256.0586; found 256,0587.
Datasets