| SpectraBase Compound ID | 2dZLI0VXFi0 |
|---|---|
| InChI | InChI=1S/C9H17NO4S/c1-4-13-8(11)7(6-15-3)10-9(12)14-5-2/h7H,4-6H2,1-3H3,(H,10,12) |
| InChIKey | RAKDFLONIWMVGM-UHFFFAOYSA-N |
| Mol Weight | 235.3 g/mol |
| Molecular Formula | C9H17NO4S |
| Exact Mass | 235.087829 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9S0GjGhO9BX |
|---|---|
| Name | S-Methyl-L-cysteine, N-(ethoxycarbonyl)-, ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 235.087829201 u |
| Formula | C9H17NO4S |
| InChI | InChI=1S/C9H17NO4S/c1-4-13-8(11)7(6-15-3)10-9(12)14-5-2/h7H,4-6H2,1-3H3,(H,10,12) |
| InChIKey | RAKDFLONIWMVGM-UHFFFAOYSA-N |
| Molecular Weight | 235.298 g/mol |
| SMILES | CSCC(C(OCC)=O)NC(OCC)=O |