![1-{alpha-[mercapto(alpha,alpha,alpha -trifluoro-m-toluidino)methylene]phenacyl}pyridinium hydroxide, inner salt](/api/spectrum/52BqvIFrG0i/structure.png?h=300&w=458 "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
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 52BqvIFrG0i |
|---|---|
| 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 |