| SpectraBase Compound ID | Gd0AFe73Uij |
|---|---|
| InChI | InChI=1S/C13H17NO4S/c1-10-2-4-12(5-3-10)19(17,18)14-8-6-11(7-9-14)13(15)16/h2-5,11H,6-9H2,1H3,(H,15,16) |
| InChIKey | YJRQMKSUAIKDDF-UHFFFAOYSA-N |
| Mol Weight | 283.34 g/mol |
| Molecular Formula | C13H17NO4S |
| Exact Mass | 283.087829 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LGYGos17OWO |
|---|---|
| Name | 1-(4-Toluenesulfonyl)-piperidine-4-carboxylic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 283.087829201 u |
| Formula | C13H17NO4S |
| InChI | InChI=1S/C13H17NO4S/c1-10-2-4-12(5-3-10)19(17,18)14-8-6-11(7-9-14)13(15)16/h2-5,11H,6-9H2,1H3,(H,15,16) |
| InChIKey | YJRQMKSUAIKDDF-UHFFFAOYSA-N |
| SMILES | C1N(CCC(C1)C(=O)O)S(=O)(=O)C=1C=CC(=CC1)C |