| SpectraBase Compound ID | ITZlsJb57II |
|---|---|
| InChI | InChI=1S/C20H21F3N2O3S/c1-14-8-10-17(11-9-14)29(27,28)25-12-3-2-7-18(25)19(26)24-16-6-4-5-15(13-16)20(21,22)23/h4-6,8-11,13,18H,2-3,7,12H2,1H3,(H,24,26)/t18-/m1/s1 |
| InChIKey | CGZFHPSPVVPHKF-GOSISDBHSA-N |
| Mol Weight | 426.45 g/mol |
| Molecular Formula | C20H21F3N2O3S |
| Exact Mass | 426.122498 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HKPcCG0BaYs |
|---|---|
| Name | (R)-1-Tosyl-N-(3-(trifluoromethyl)phenyl)piperidine-2-carboxamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 426.122498204 u |
| Formula | C20H21F3N2O3S |
| InChI | InChI=1S/C20H21F3N2O3S/c1-14-8-10-17(11-9-14)29(27,28)25-12-3-2-7-18(25)19(26)24-16-6-4-5-15(13-16)20(21,22)23/h4-6,8-11,13,18H,2-3,7,12H2,1H3,(H,24,26)/t18-/m1/s1 |
| InChIKey | CGZFHPSPVVPHKF-GOSISDBHSA-N |
| Molecular Weight | 426.454 g/mol |
| SMILES | [C@@]1(N(CCCC1)S(=O)(=O)C1=CC=C(C)C=C1)(C(=O)NC1=CC(=CC=C1)C(F)(F)F)[H] |