| SpectraBase Compound ID | ArS3JezaC7o |
|---|---|
| InChI | InChI=1S/C15H28ClNO4S/c1-3-4-5-6-7-10-20-14(18)13(8-12-22-2)17-15(19)21-11-9-16/h13H,3-12H2,1-2H3,(H,17,19) |
| InChIKey | RQEIBLPUNNJJNK-UHFFFAOYSA-N |
| Mol Weight | 353.91 g/mol |
| Molecular Formula | C15H28ClNO4S |
| Exact Mass | 353.142757 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | nqls0GrSJb |
|---|---|
| Name | L-Methionine, N-(2-chloroethoxycarbonyl)-, heptyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 353.142757256 u |
| Formula | C15H28ClNO4S |
| InChI | InChI=1S/C15H28ClNO4S/c1-3-4-5-6-7-10-20-14(18)13(8-12-22-2)17-15(19)21-11-9-16/h13H,3-12H2,1-2H3,(H,17,19) |
| InChIKey | RQEIBLPUNNJJNK-UHFFFAOYSA-N |
| Molecular Weight | 353.905 g/mol |
| SMILES | CCCCCCCOC(C(NC(OCCCl)=O)CCSC)=O |