| SpectraBase Compound ID | 5sOOs07XVwV |
|---|---|
| InChI | InChI=1S/C18H21NO5S/c1-13-7-10-15(11-8-13)25(23,24)19-16(17(20)18(21)22)12-9-14-5-3-2-4-6-14/h2-8,10-11,16-17,19-20H,9,12H2,1H3,(H,21,22) |
| InChIKey | AGBQJWOZJRQQLY-UHFFFAOYSA-N |
| Mol Weight | 363.43 g/mol |
| Molecular Formula | C18H21NO5S |
| Exact Mass | 363.114044 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8amWukrlAK2 |
|---|---|
| Name | 2-Hydroxy-5-phenyl-3-(tosylamino)pentanoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 363.114043949 u |
| Formula | C18H21NO5S |
| InChI | InChI=1S/C18H21NO5S/c1-13-7-10-15(11-8-13)25(23,24)19-16(17(20)18(21)22)12-9-14-5-3-2-4-6-14/h2-8,10-11,16-17,19-20H,9,12H2,1H3,(H,21,22) |
| InChIKey | AGBQJWOZJRQQLY-UHFFFAOYSA-N |
| Molecular Weight | 363.428 g/mol |
| SMILES | C(NS(C=1C=CC(=CC1)C)(=O)=O)(C(C(=O)O)O)CCC1=CC=CC=C1 |