| SpectraBase Compound ID | KQ6G0Hs11Gj |
|---|---|
| InChI | InChI=1S/C19H36ClNO4S/c1-3-4-5-6-7-8-9-10-11-14-24-18(22)17(12-16-26-2)21-19(23)25-15-13-20/h17H,3-16H2,1-2H3,(H,21,23) |
| InChIKey | PWQFZQLMHGWPDS-UHFFFAOYSA-N |
| Mol Weight | 410.0 g/mol |
| Molecular Formula | C19H36ClNO4S |
| Exact Mass | 409.205358 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5ptAeqvpmI4 |
|---|---|
| Name | L-Methionine, N-(2-chloroethoxycarbonyl)-, undecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 409.205357513 u |
| Formula | C19H36ClNO4S |
| InChI | InChI=1S/C19H36ClNO4S/c1-3-4-5-6-7-8-9-10-11-14-24-18(22)17(12-16-26-2)21-19(23)25-15-13-20/h17H,3-16H2,1-2H3,(H,21,23) |
| InChIKey | PWQFZQLMHGWPDS-UHFFFAOYSA-N |
| Molecular Weight | 410.013 g/mol |
| SMILES | CCCCCCCCCCCOC(C(NC(OCCCl)=O)CCSC)=O |