SpectraBase Compound ID | Fsa7EZbyI2z |
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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 |
SpectraBase Spectrum ID | 52BqvIFrG0i |
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Name | 1-{alpha-[mercapto(alpha,alpha,alpha-trifluoro-m-toluidino)methylene]phenacyl}pyridinium hydroxide, inner salt |
Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
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 |