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(S)-1-(3,5-Bis(trifluoromethyl)phenyl)-3-(1-(4-bromophenyl)ethyl)thiourea
SpectraBase Compound ID 2Dwsdk8ebRz
InChI InChI=1S/C17H13BrF6N2S/c1-9(10-2-4-13(18)5-3-10)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 QZDNHAJCISXGGS-VIFPVBQESA-N
Mol Weight 471.26 g/mol
Molecular Formula C17H13BrF6N2S
Exact Mass 469.988702 g/mol
Enantiomer InChIKey QZDNHAJCISXGGS-SECBINFHSA-N
Racemate InChIKey QZDNHAJCISXGGS-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-SM11-(S)-9i
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

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Wiley Registry of Mass Spectral Data 2023

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