| SpectraBase Compound ID | BxQVFmkXWjr |
|---|---|
| InChI | InChI=1S/C12H16N2O3S/c1-9-4-6-10(7-5-9)18(16,17)14-8-2-3-11(14)12(13)15/h4-7,11H,2-3,8H2,1H3,(H2,13,15)/t11-/m0/s1 |
| InChIKey | YDHWEEPSGQVJGO-NSHDSACASA-N |
| Mol Weight | 268.33 g/mol |
| Molecular Formula | C12H16N2O3S |
| Exact Mass | 268.088164 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8JJoA502hsy |
|---|---|
| Name | N-Tosyl-L-proline amide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 268.088163554 u |
| Formula | C12H16N2O3S |
| InChI | InChI=1S/C12H16N2O3S/c1-9-4-6-10(7-5-9)18(16,17)14-8-2-3-11(14)12(13)15/h4-7,11H,2-3,8H2,1H3,(H2,13,15)/t11-/m0/s1 |
| InChIKey | YDHWEEPSGQVJGO-NSHDSACASA-N |
| SMILES | C1N([C@@](CC1)(C(N)=O)[H])S(=O)(=O)C1=CC=C(C=C1)C |