| SpectraBase Compound ID | 7U3ayH2pjMU |
|---|---|
| InChI | InChI=1S/C12H22ClNO4S/c1-3-4-7-17-11(15)10(5-9-19-2)14-12(16)18-8-6-13/h10H,3-9H2,1-2H3,(H,14,16) |
| InChIKey | GLMSYJKZKFRFHL-UHFFFAOYSA-N |
| Mol Weight | 311.82 g/mol |
| Molecular Formula | C12H22ClNO4S |
| Exact Mass | 311.095807 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JfnZBnR9bOQ |
|---|---|
| Name | L-Methionine, N-(2-chloroethoxycarbonyl)-, butyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 311.095807062 u |
| Formula | C12H22ClNO4S |
| InChI | InChI=1S/C12H22ClNO4S/c1-3-4-7-17-11(15)10(5-9-19-2)14-12(16)18-8-6-13/h10H,3-9H2,1-2H3,(H,14,16) |
| InChIKey | GLMSYJKZKFRFHL-UHFFFAOYSA-N |
| Molecular Weight | 311.824 g/mol |
| SMILES | CSCCC(C(OCCCC)=O)NC(OCCCl)=O |