| SpectraBase Compound ID | 8cHP0a4sRzf |
|---|---|
| InChI | InChI=1S/C20H28F3N3S/c1-2-3-4-5-6-7-8-9-10-15-18-24-25-19(27)26(18)17-14-12-11-13-16(17)20(21,22)23/h11-14H,2-10,15H2,1H3,(H,25,27) |
| InChIKey | QTDLPVFLSNWEIY-UHFFFAOYSA-N |
| Mol Weight | 399.52 g/mol |
| Molecular Formula | C20H28F3N3S |
| Exact Mass | 399.195604 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Kr9wph79vI3 |
|---|---|
| Name | 4-(alpha,alpha,alpha-trifluoro-o-tolyl)-5-undecyl-4H-1,2,4-triazole-3-thiol |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H28F3N3S |
| InChI | InChI=1S/C20H28F3N3S/c1-2-3-4-5-6-7-8-9-10-15-18-24-25-19(27)26(18)17-14-12-11-13-16(17)20(21,22)23/h11-14H,2-10,15H2,1H3,(H,25,27) |
| InChIKey | QTDLPVFLSNWEIY-UHFFFAOYSA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 55461M |
| Solvent | CDCl3 |