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

Formula: C18H18S2


Canonical SMILES:
Cc1ccc(cc1)SC12CC(C1)(C2)Sc1ccccc1
InChI:
InChI=1S/C18H18S2/c1-14-7-9-16(10-8-14)20-18-11-17(12-18,13-18)19-15-5-3-2-4-6-15/h2-10H,11-13H2,1H3
InChIKey:
DWANMFCYEOMCOA-UHFFFAOYSA-N
Exact Mass:
Crosslinks:   


Published on 2019-02-28This work is licensed under a Creative Commons Attribution-ShareAlike 4.0 International License.

 

mass spectrometry (MS) 
Author: Robin Bär1

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

Analysis DOI:
Analysis ID:
Content:   
EI (m/z, 70 eV, 50 °C): 298 (10) [M]+, 189 (100) [M–C6H5S]+, 175 (97) [M–C7H7S]+, 91 (27) [C7H7]+.
Datasets