| SpectraBase Compound ID | F1RDezVltQY |
|---|---|
| InChI | InChI=1S/C12H17NO4S/c1-9-5-7-10(8-6-9)18(15,16)13-12(2,3)11(14)17-4/h5-8,13H,1-4H3 |
| InChIKey | UVLCKFFWMPSIJV-UHFFFAOYSA-N |
| Mol Weight | 271.33 g/mol |
| Molecular Formula | C12H17NO4S |
| Exact Mass | 271.087829 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 52dMSF0JMAi |
|---|---|
| Name | Methyl 2-methyl-N-p-toluenesulfonyl alaninate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 271.087829201 u |
| Formula | C12H17NO4S |
| InChI | InChI=1S/C12H17NO4S/c1-9-5-7-10(8-6-9)18(15,16)13-12(2,3)11(14)17-4/h5-8,13H,1-4H3 |
| InChIKey | UVLCKFFWMPSIJV-UHFFFAOYSA-N |
| SMILES | C(NS(C=1C=CC(=CC1)C)(=O)=O)(C(=O)OC)(C)C |