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.

 

13C nuclear magnetic resonance spectroscopy (13C NMR) 
Author: Robin Bär1

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

Analysis DOI:
Analysis ID:
Content:   
13C NMR (100 MHz, CDCl3, ppm) δ = 138.2 (Cquat, CArCH3), 134.2 (+, 2xCHAr), 133.9 (+, 2xCHAr), 133.4 (Cquat, CArS), 129.8 (+, 2xCHAr), 129.6 (Cquat, CArS), 123.0 (+, 2xCHAr), 128.0 (+, CHAr), 57.4 (–, 3xCH2), 42.8 (Cquat, CCH2), 42.6 (Cquat, CCH2), 21.3 (+, CH3).
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