| SpectraBase Compound ID | 28InNWwHlOj |
|---|---|
| InChI | InChI=1S/C14H26ClNO4S/c1-11(2)5-4-8-19-13(17)12(6-10-21-3)16-14(18)20-9-7-15/h11-12H,4-10H2,1-3H3,(H,16,18) |
| InChIKey | AOQCIIDHCBHDLZ-UHFFFAOYSA-N |
| Mol Weight | 339.88 g/mol |
| Molecular Formula | C14H26ClNO4S |
| Exact Mass | 339.127107 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Kgtfy1Sr8RM |
|---|---|
| Name | L-Methionine, N-(2-chloroethoxycarbonyl)-, isohexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 339.127107191 u |
| Formula | C14H26ClNO4S |
| InChI | InChI=1S/C14H26ClNO4S/c1-11(2)5-4-8-19-13(17)12(6-10-21-3)16-14(18)20-9-7-15/h11-12H,4-10H2,1-3H3,(H,16,18) |
| InChIKey | AOQCIIDHCBHDLZ-UHFFFAOYSA-N |
| Molecular Weight | 339.878 g/mol |
| SMILES | CSCCC(C(OCCCC(C)C)=O)NC(OCCCl)=O |