| SpectraBase Compound ID | HW4RS5cmbAs |
|---|---|
| InChI | InChI=1S/C13H17NO4S/c1-10-5-7-11(8-6-10)19(16,17)14-9-3-4-12(14)13(15)18-2/h5-8,12H,3-4,9H2,1-2H3/t12-/m0/s1 |
| InChIKey | ZWRPAGBRJCRZON-LBPRGKRZSA-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 | LSmXzN6sBAW |
|---|---|
| Name | N-Tosyl-L-proline methyl ester |
| 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/c1-10-5-7-11(8-6-10)19(16,17)14-9-3-4-12(14)13(15)18-2/h5-8,12H,3-4,9H2,1-2H3/t12-/m0/s1 |
| InChIKey | ZWRPAGBRJCRZON-LBPRGKRZSA-N |
| SMILES | C1=CC(=CC=C1C)S(=O)(=O)N1[C@@](CCC1)(C(OC)=O)[H] |