![3-[(2-propyl)thio]-4-(alpha,alpha,alpha-trifluoro-m-tolyl)-5-veratryl-4H-1,2,4-triazole](/api/spectrum/EwuZn1tZZ4P/structure.png?h=300&w=458 "3-[(2-propyl)thio]-4-(alpha,alpha,alpha-trifluoro-m-tolyl)-5-veratryl-4H-1,2,4-triazole")
| SpectraBase Compound ID | Ck79Ib6fGrv |
|---|---|
| InChI | InChI=1S/C21H18F3N3O2S/c1-4-10-30-20-26-25-19(12-14-8-9-17(28-2)18(11-14)29-3)27(20)16-7-5-6-15(13-16)21(22,23)24/h1,5-9,11,13H,10,12H2,2-3H3 |
| InChIKey | SWKJFGJIEWEQPY-UHFFFAOYSA-N |
| Mol Weight | 433.45 g/mol |
| Molecular Formula | C21H18F3N3O2S |
| Exact Mass | 433.107182 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EwuZn1tZZ4P |
|---|---|
| Name | 3-[(2-propyl)thio]-4-(alpha,alpha,alpha-trifluoro-m-tolyl)-5-veratryl-4H-1,2,4-triazole |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H18F3N3O2S |
| InChI | InChI=1S/C21H18F3N3O2S/c1-4-10-30-20-26-25-19(12-14-8-9-17(28-2)18(11-14)29-3)27(20)16-7-5-6-15(13-16)21(22,23)24/h1,5-9,11,13H,10,12H2,2-3H3 |
| InChIKey | SWKJFGJIEWEQPY-UHFFFAOYSA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 46197M |
| Solvent | CDCl3 |