| SpectraBase Compound ID | LYYlAp4aAgo |
|---|---|
| InChI | InChI=1S/C13H17NO4S/c1-2-17-12(15)11(9-19)14-13(16)18-8-10-6-4-3-5-7-10/h3-7,11,19H,2,8-9H2,1H3,(H,14,16) |
| InChIKey | IWZJZGRUIZUKJJ-UHFFFAOYSA-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 | H3WFy9UH2pX |
|---|---|
| Name | N-Carboxy-L-cysteine, N-benzyl ethyl 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/c1-2-17-12(15)11(9-19)14-13(16)18-8-10-6-4-3-5-7-10/h3-7,11,19H,2,8-9H2,1H3,(H,14,16) |
| InChIKey | IWZJZGRUIZUKJJ-UHFFFAOYSA-N |
| Molecular Weight | 283.342 g/mol |
| SMILES | N(C(CS)C(OCC)=O)C(=O)OCC=1C=CC=CC1 |