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2-{[4-(Trifluoromethyl)phenyl]ethynyl}benzothiazole
SpectraBase Compound ID 95ImMvgwB9c
InChI InChI=1S/C16H8F3NS/c17-16(18,19)12-8-5-11(6-9-12)7-10-15-20-13-3-1-2-4-14(13)21-15/h1-6,8-9H
InChIKey GNSHNTOKVHSQQP-UHFFFAOYSA-N
Mol Weight 303.3 g/mol
Molecular Formula C16H8F3NS
Exact Mass 303.032955 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E4fWv5FxYl8
Name 2-{[4-(Trifluoromethyl)phenyl]ethynyl}benzothiazole
Alternate Name(s) 2-((4-(Trifluoromethyl)phenyl)ethynyl)benzo[d]thiazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H8F3NS
InChI InChI=1S/C16H8F3NS/c17-16(18,19)12-8-5-11(6-9-12)7-10-15-20-13-3-1-2-4-14(13)21-15/h1-6,8-9H
InChIKey GNSHNTOKVHSQQP-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol300514d
Molecular Weight 303.302 g/mol
SMILES c12sc(nc2cccc1)C#Cc1ccc(cc1)C(F)(F)F
SPLASH splash10-0udi-3109000000-ef3f666f7d9f2f829ca0
Source of Spectrum A1-14-1824/SMS26-7c
Wiley ID 1750198