| SpectraBase Compound ID | 3ZS7XsGmPeU |
|---|---|
| InChI | InChI=1S/C21H24N2O5S/c1-15-9-11-18(12-10-15)29(26,27)23-13-4-3-8-19(23)20(24)22-17-7-5-6-16(14-17)21(25)28-2/h5-7,9-12,14,19H,3-4,8,13H2,1-2H3,(H,22,24)/t19-/m1/s1 |
| InChIKey | WGHYAPXCXSOCGC-LJQANCHMSA-N |
| Mol Weight | 416.49 g/mol |
| Molecular Formula | C21H24N2O5S |
| Exact Mass | 416.140593 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JrA1VDBbnUA |
|---|---|
| Name | Methyl (R)-3-(1-tosylpiperidine-2-carboxamido)benzoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 416.140593050 u |
| Formula | C21H24N2O5S |
| InChI | InChI=1S/C21H24N2O5S/c1-15-9-11-18(12-10-15)29(26,27)23-13-4-3-8-19(23)20(24)22-17-7-5-6-16(14-17)21(25)28-2/h5-7,9-12,14,19H,3-4,8,13H2,1-2H3,(H,22,24)/t19-/m1/s1 |
| InChIKey | WGHYAPXCXSOCGC-LJQANCHMSA-N |
| Molecular Weight | 416.492 g/mol |
| SMILES | C(C1=CC(=CC=C1)NC(=O)[C@@]1(N(CCCC1)S(=O)(=O)C1=CC=C(C)C=C1)[H])(=O)OC |