| SpectraBase Compound ID | K7MkCfEnRrX |
|---|---|
| InChI | InChI=1S/C12H21NO3S/c1-16-12(15)10(7-8-17-2)13-11(14)9-5-3-4-6-9/h9-10H,3-8H2,1-2H3,(H,13,14) |
| InChIKey | OHXJMMJMLABCIR-UHFFFAOYSA-N |
| Mol Weight | 259.36 g/mol |
| Molecular Formula | C12H21NO3S |
| Exact Mass | 259.124215 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1FaDeeo661K |
|---|---|
| Name | L-Methionine, N-cyclopentylcarbonyl-, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 259.124214711 u |
| Formula | C12H21NO3S |
| InChI | InChI=1S/C12H21NO3S/c1-16-12(15)10(7-8-17-2)13-11(14)9-5-3-4-6-9/h9-10H,3-8H2,1-2H3,(H,13,14) |
| InChIKey | OHXJMMJMLABCIR-UHFFFAOYSA-N |
| SMILES | C1CCCC1C(NC(C(OC)=O)CCSC)=O |