| SpectraBase Compound ID | H1XhsDYbTxY |
|---|---|
| InChI | InChI=1S/C13H24ClNO4S/c1-3-4-5-8-18-12(16)11(6-10-20-2)15-13(17)19-9-7-14/h11H,3-10H2,1-2H3,(H,15,17) |
| InChIKey | DAHITDVACPDYPK-UHFFFAOYSA-N |
| Mol Weight | 325.85 g/mol |
| Molecular Formula | C13H24ClNO4S |
| Exact Mass | 325.111457 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | ChCtaADnmV1 |
|---|---|
| Name | L-Methionine, N-(2-chloroethoxycarbonyl)-, pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 325.111457127 u |
| Formula | C13H24ClNO4S |
| InChI | InChI=1S/C13H24ClNO4S/c1-3-4-5-8-18-12(16)11(6-10-20-2)15-13(17)19-9-7-14/h11H,3-10H2,1-2H3,(H,15,17) |
| InChIKey | DAHITDVACPDYPK-UHFFFAOYSA-N |
| Molecular Weight | 325.851 g/mol |
| SMILES | CSCCC(C(OCCCCC)=O)NC(OCCCl)=O |