| SpectraBase Compound ID | 5EhOQwwq9yz |
|---|---|
| InChI | InChI=1S/C16H31NO4S/c1-4-6-7-8-9-10-12-21-15(18)14(11-13-22-3)17-16(19)20-5-2/h14H,4-13H2,1-3H3,(H,17,19) |
| InChIKey | LWBZOVQDLBRNPH-UHFFFAOYSA-N |
| Mol Weight | 333.49 g/mol |
| Molecular Formula | C16H31NO4S |
| Exact Mass | 333.19738 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | J9tpbwJRYCl |
|---|---|
| Name | L-Methionine, N-ethoxycarbonyl-, octyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 333.197379652 u |
| Formula | C16H31NO4S |
| InChI | InChI=1S/C16H31NO4S/c1-4-6-7-8-9-10-12-21-15(18)14(11-13-22-3)17-16(19)20-5-2/h14H,4-13H2,1-3H3,(H,17,19) |
| InChIKey | LWBZOVQDLBRNPH-UHFFFAOYSA-N |
| Molecular Weight | 333.487 g/mol |
| SMILES | CCOC(NC(C(OCCCCCCCC)=O)CCSC)=O |