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N-[5-(4-Trifluoromethylphenylethynyl)pyrimidin-2-yl]pyridiniumaminide
SpectraBase Compound ID 976FZ3C3JAf
InChI InChI=1S/C18H11F3N4/c19-18(20,21)16-8-6-14(7-9-16)4-5-15-12-22-17(23-13-15)24-25-10-2-1-3-11-25/h1-3,6-13H
InChIKey CNYMEGTUINHJIK-UHFFFAOYSA-N
Mol Weight 340.31 g/mol
Molecular Formula C18H11F3N4
Exact Mass 340.093581 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3FWMVxrSUrA
Name N-[5-(4-Trifluoromethylphenylethynyl)pyrimidin-2-yl]pyridiniumaminide
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H11F3N4
InChI InChI=1S/C18H11F3N4/c19-18(20,21)16-8-6-14(7-9-16)4-5-15-12-22-17(23-13-15)24-25-10-2-1-3-11-25/h1-3,6-13H
InChIKey CNYMEGTUINHJIK-UHFFFAOYSA-N
Molecular Weight 340.309 g/mol
SMILES c1([N-][n+]2ccccc2)ncc(C#Cc2ccc(C(F)(F)F)cc2)cn1
SPLASH splash10-0016-3309000000-2d660e6f67477536d1cf
Source of Spectrum F-69-2490-7d
Synonyms Pyridin-1-ium-1-yl(5-((4-(trifluoromethyl)phenyl)ethynyl)pyrimidin-2-yl)amide
Wiley ID 1737761