![(E)-2-{{1-[(p-tolylsulfonyl)methyl]-3-(alpha,alpha,alpha-trifluoro-m-toluidino)propenyl}thio}benzimidazole](/api/spectrum/6jHlIME8fGC/structure.png?h=300&w=458 "(E)-2-{{1-[(p-tolylsulfonyl)methyl]-3-(alpha,alpha,alpha-trifluoro-m-toluidino)propenyl}thio}benzimidazole")
| SpectraBase Compound ID | Bv79Sj6PmNd |
|---|---|
| InChI | InChI=1S/C25H22F3N3O2S2/c1-17-9-11-21(12-10-17)35(32,33)16-20(34-24-30-22-7-2-3-8-23(22)31-24)13-14-29-19-6-4-5-18(15-19)25(26,27)28/h2-13,15,29H,14,16H2,1H3,(H,30,31)/b20-13+ |
| InChIKey | BMZDUDWHEGVLRD-DEDYPNTBSA-N |
| Mol Weight | 517.59 g/mol |
| Molecular Formula | C25H22F3N3O2S2 |
| Exact Mass | 517.110554 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6jHlIME8fGC |
|---|---|
| Name | (E)-2-{{1-[(p-tolylsulfonyl)methyl]-3-(alpha,alpha,alpha-trifluoro-m-toluidino)propenyl}thio}benzimidazole |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C25H22F3N3O2S2 |
| InChI | InChI=1S/C25H22F3N3O2S2/c1-17-9-11-21(12-10-17)35(32,33)16-20(34-24-30-22-7-2-3-8-23(22)31-24)13-14-29-19-6-4-5-18(15-19)25(26,27)28/h2-13,15,29H,14,16H2,1H3,(H,30,31)/b20-13+ |
| InChIKey | BMZDUDWHEGVLRD-DEDYPNTBSA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 49580M |
| Solvent | Polysol |