For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
(S)-1-(3,5-Bis(trifluoromethyl)phenyl)-3-(1-(3-chlorophenyl)ethyl)thiourea
SpectraBase Compound ID 6FRF8yoAO7p
InChI InChI=1S/C17H13ClF6N2S/c1-9(10-3-2-4-13(18)5-10)25-15(27)26-14-7-11(16(19,20)21)6-12(8-14)17(22,23)24/h2-9H,1H3,(H2,25,26,27)/t9-/m0/s1
InChIKey NYXNJDUDQSPLOO-VIFPVBQESA-N
Mol Weight 426.81 g/mol
Molecular Formula C17H13ClF6N2S
Exact Mass 426.039216 g/mol
Enantiomer InChIKey NYXNJDUDQSPLOO-SECBINFHSA-N
Racemate InChIKey NYXNJDUDQSPLOO-UHFFFAOYSA-N
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum BJO-8-SM12-(S)-9k
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3
Title Journal or Book Year
Highly enantioselective access to cannabinoid-type tricyles by organocatalytic Diels–Alder reactions Beilstein Journal of Organic Chemistry 2012

This compound is available in the following databases:

Wiley Registry of Mass Spectral Data 2023

Author: Wiley

The foundation library for any analytical laboratory running mass spectrometry, the Wiley Registry provides the broadest coverage available in any mass spectral library Learn more.

Unknown Identification

Search your unknown spectrum against the world's largest collection of reference spectra

KnowItAll Campus Solutions

KnowItAll offers faculty and students at your school access to all the tools you need for spectral analysis and structure drawing & publishing! Plus, access the world's largest spectral library.