| SpectraBase Compound ID | 5Jw2f1qoABj |
|---|---|
| InChI | InChI=1S/C15H21NO4S/c1-19-14(17)13(9-10-21-3)16(15(18)20-2)11-12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3 |
| InChIKey | DQBKCCBLMBLQGD-UHFFFAOYSA-N |
| Mol Weight | 311.4 g/mol |
| Molecular Formula | C15H21NO4S |
| Exact Mass | 311.119129 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2F7aiwtdO1v |
|---|---|
| Name | Benzyl-L-methionine, N-(methoxycarbonyl)-, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 311.119129330 u |
| Formula | C15H21NO4S |
| InChI | InChI=1S/C15H21NO4S/c1-19-14(17)13(9-10-21-3)16(15(18)20-2)11-12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3 |
| InChIKey | DQBKCCBLMBLQGD-UHFFFAOYSA-N |
| Molecular Weight | 311.396 g/mol |
| SMILES | C1(=CC=CC=C1)CN(C(CCSC)C(=O)OC)C(OC)=O |