| SpectraBase Compound ID | IgY6M7CYpfe |
|---|---|
| InChI | InChI=1S/C19H21N3O5S/c1-14-8-10-17(11-9-14)28(26,27)21-12-3-2-7-18(21)19(23)20-15-5-4-6-16(13-15)22(24)25/h4-6,8-11,13,18H,2-3,7,12H2,1H3,(H,20,23)/t18-/m1/s1 |
| InChIKey | QOJIBGLDPJSZIP-GOSISDBHSA-N |
| Mol Weight | 403.45 g/mol |
| Molecular Formula | C19H21N3O5S |
| Exact Mass | 403.120192 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 52Rcft8OqwZ |
|---|---|
| Name | (R)-N-(3-Nitrophenyl)-1-tosylpiperidine-2-carboxamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 403.120191957 u |
| Formula | C19H21N3O5S |
| InChI | InChI=1S/C19H21N3O5S/c1-14-8-10-17(11-9-14)28(26,27)21-12-3-2-7-18(21)19(23)20-15-5-4-6-16(13-15)22(24)25/h4-6,8-11,13,18H,2-3,7,12H2,1H3,(H,20,23)/t18-/m1/s1 |
| InChIKey | QOJIBGLDPJSZIP-GOSISDBHSA-N |
| Molecular Weight | 403.453 g/mol |
| SMILES | [C@@]1(N(CCCC1)S(=O)(=O)C1=CC=C(C)C=C1)(C(=O)NC1=CC(=CC=C1)N(=O)=O)[H] |