| SpectraBase Compound ID | 53q6trZ4bBV |
|---|---|
| InChI | InChI=1S/C12H22ClNO4S/c1-9(2)8-18-11(15)10(4-7-19-3)14-12(16)17-6-5-13/h9-10H,4-8H2,1-3H3,(H,14,16) |
| InChIKey | QSRYKUMLFQPWDL-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 | 3Cgfl7Vq5of |
|---|---|
| Name | L-Methionine, N-(2-chloroethoxycarbonyl)-, isobutyl 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/c1-9(2)8-18-11(15)10(4-7-19-3)14-12(16)17-6-5-13/h9-10H,4-8H2,1-3H3,(H,14,16) |
| InChIKey | QSRYKUMLFQPWDL-UHFFFAOYSA-N |
| Molecular Weight | 311.824 g/mol |
| SMILES | CSCCC(C(OCC(C)C)=O)NC(OCCCl)=O |