| SpectraBase Compound ID | G0yutmDwhOu |
|---|---|
| InChI | InChI=1S/C20H24N2O3S2/c1-16-9-11-17(12-10-16)26-15-13-21-20(23)19-8-5-14-22(19)27(24,25)18-6-3-2-4-7-18/h2-4,6-7,9-12,19H,5,8,13-15H2,1H3,(H,21,23) |
| InChIKey | SUOLVWMEEZSFBG-UHFFFAOYSA-N |
| Mol Weight | 404.54 g/mol |
| Molecular Formula | C20H24N2O3S2 |
| Exact Mass | 404.122835 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | C98itriA1Yq |
|---|---|
| Name | 1-Benzenesulfonyl-pyrrolidine-2-carboxylic acid (2-p-tolylsulfanyl-ethyl)-amide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 404.122834986 u |
| Formula | C20H24N2O3S2 |
| InChI | InChI=1S/C20H24N2O3S2/c1-16-9-11-17(12-10-16)26-15-13-21-20(23)19-8-5-14-22(19)27(24,25)18-6-3-2-4-7-18/h2-4,6-7,9-12,19H,5,8,13-15H2,1H3,(H,21,23) |
| InChIKey | SUOLVWMEEZSFBG-UHFFFAOYSA-N |
| Molecular Weight | 404.543 g/mol |
| SMILES | C1=CC=C(C=C1)S(N1C(C(=O)NCCSC=2C=CC(C)=CC2)CCC1)(=O)=O |