![Methyl 2-(acetylamino)-3-[(2-hydroxyethyl)sulfanyl]propanoate](/api/spectrum/1vMFCWkgByB/structure.png?h=300&w=458 "Methyl 2-(acetylamino)-3-[(2-hydroxyethyl)sulfanyl]propanoate")
| SpectraBase Compound ID | 2EEMa4qjyo |
|---|---|
| InChI | InChI=1S/C8H15NO4S/c1-6(11)9-7(8(12)13-2)5-14-4-3-10/h7,10H,3-5H2,1-2H3,(H,9,11) |
| InChIKey | YCWNOVNQJHSUQJ-UHFFFAOYSA-N |
| Mol Weight | 221.27 g/mol |
| Molecular Formula | C8H15NO4S |
| Exact Mass | 221.072179 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1vMFCWkgByB |
|---|---|
| Name | Methyl 2-(acetylamino)-3-[(2-hydroxyethyl)sulfanyl]propanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 221.072179137 u |
| Formula | C8H15NO4S |
| InChI | InChI=1S/C8H15NO4S/c1-6(11)9-7(8(12)13-2)5-14-4-3-10/h7,10H,3-5H2,1-2H3,(H,9,11) |
| InChIKey | YCWNOVNQJHSUQJ-UHFFFAOYSA-N |
| Molecular Weight | 221.271 g/mol |
| SMILES | C(NC(C)=O)(C(OC)=O)CSCCO |