| SpectraBase Compound ID | f4PFfTEqD0 |
|---|---|
| InChI | InChI=1S/C12H15NO4S/c1-4-7-16-11(14)10(6-9-18-3)13-12(15)17-8-5-2/h1-2,10H,6-9H2,3H3,(H,13,15) |
| InChIKey | NEVDCFAXAGAIAF-UHFFFAOYSA-N |
| Mol Weight | 269.31 g/mol |
| Molecular Formula | C12H15NO4S |
| Exact Mass | 269.072179 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2XBXON8OJRU |
|---|---|
| Name | L-Methionine, N-propargyloxycarbonyl-, propargyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 269.072179137 u |
| Formula | C12H15NO4S |
| InChI | InChI=1S/C12H15NO4S/c1-4-7-16-11(14)10(6-9-18-3)13-12(15)17-8-5-2/h1-2,10H,6-9H2,3H3,(H,13,15) |
| InChIKey | NEVDCFAXAGAIAF-UHFFFAOYSA-N |
| SMILES | C#CCOC(NC(CCSC)C(OCC#C)=O)=O |