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1-{alpha-[mercapto(alpha,alpha,alpha -trifluoro-m-toluidino)methylene]phenacyl}pyridinium hydroxide, inner salt
SpectraBase Compound ID Fsa7EZbyI2z
InChI InChI=1S/C21H15F3N2OS/c22-21(23,24)16-10-7-11-17(14-16)25-20(28)18(26-12-5-2-6-13-26)19(27)15-8-3-1-4-9-15/h1-14H,(H-,25,27,28)
InChIKey HJOMOOSEHQLKQI-UHFFFAOYSA-N
Mol Weight 400.42 g/mol
Molecular Formula C21H15F3N2OS
Exact Mass 400.085719 g/mol

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 52BqvIFrG0i
Name 1-{alpha-[mercapto(alpha,alpha,alpha-trifluoro-m-toluidino)methylene]phenacyl}pyridinium hydroxide, inner salt
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Formula C21H15F3N2OS
InChI InChI=1S/C21H15F3N2OS/c22-21(23,24)16-10-7-11-17(14-16)25-20(28)18(26-12-5-2-6-13-26)19(27)15-8-3-1-4-9-15/h1-14H,(H-,25,27,28)
InChIKey HJOMOOSEHQLKQI-UHFFFAOYSA-N
Instrument Name Varian CFT-20
Sadtler NMR Number 49938M
Solvent DMSO-d6