| SpectraBase Compound ID | J6rsmWQ4iGY |
|---|---|
| InChI | InChI=1S/C27H34F3N3S/c1-2-3-4-5-6-7-8-9-13-20-25-31-32-26(34-21-22-16-11-10-12-17-22)33(25)24-19-15-14-18-23(24)27(28,29)30/h10-12,14-19H,2-9,13,20-21H2,1H3 |
| InChIKey | DJRFNFWLXLVXGS-UHFFFAOYSA-N |
| Mol Weight | 489.6 g/mol |
| Molecular Formula | C27H34F3N3S |
| Exact Mass | 489.242554 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7by8ahWhtd8 |
|---|---|
| Name | 3-(benzylthio)-4-(alpha,alpha,alpha-trifluoro-o-tolyl)-5-undecyl-4H-1,2,4-triazole |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H34F3N3S |
| InChI | InChI=1S/C27H34F3N3S/c1-2-3-4-5-6-7-8-9-13-20-25-31-32-26(34-21-22-16-11-10-12-17-22)33(25)24-19-15-14-18-23(24)27(28,29)30/h10-12,14-19H,2-9,13,20-21H2,1H3 |
| InChIKey | DJRFNFWLXLVXGS-UHFFFAOYSA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 55462M |
| Solvent | CDCl3 |