| SpectraBase Compound ID | Ily74LkiQBN |
|---|---|
| InChI | InChI=1S/C12H20N2O4S/c1-9(15)14-10(6-8-19-3)12(17)13-7-4-5-11(16)18-2/h4-5,10H,6-8H2,1-3H3,(H,13,17)(H,14,15)/b5-4+/t10-/m0/s1 |
| InChIKey | FLVIPWBQKFUQAQ-YEZKRMTDSA-N |
| Mol Weight | 288.36 g/mol |
| Molecular Formula | C12H20N2O4S |
| Exact Mass | 288.114378 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4znLzXVrlXS |
|---|---|
| Name | Methyl N-(N'-acetyl-L-methionyl)-.gamma.-aminocrotonate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 288.114378302 u |
| Formula | C12H20N2O4S |
| InChI | InChI=1S/C12H20N2O4S/c1-9(15)14-10(6-8-19-3)12(17)13-7-4-5-11(16)18-2/h4-5,10H,6-8H2,1-3H3,(H,13,17)(H,14,15)/b5-4+/t10-/m0/s1 |
| InChIKey | FLVIPWBQKFUQAQ-YEZKRMTDSA-N |
| SMILES | C([C@@](NC(=O)C)(CCSC)[H])(=O)NC\C=C\C(=O)OC |