| SpectraBase Compound ID | 3gtcpc860FZ |
|---|---|
| InChI | InChI=1S/C13H19NO2S/c1-16-13(15)12(8-9-17-2)14-10-11-6-4-3-5-7-11/h3-7,12,14H,8-10H2,1-2H3 |
| InChIKey | ZGQZCDGDRNGRMN-UHFFFAOYSA-N |
| Mol Weight | 253.36 g/mol |
| Molecular Formula | C13H19NO2S |
| Exact Mass | 253.11365 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BZis2XLsOlK |
|---|---|
| Name | Benzyl-L-methionine, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 253.113650028 u |
| Formula | C13H19NO2S |
| InChI | InChI=1S/C13H19NO2S/c1-16-13(15)12(8-9-17-2)14-10-11-6-4-3-5-7-11/h3-7,12,14H,8-10H2,1-2H3 |
| InChIKey | ZGQZCDGDRNGRMN-UHFFFAOYSA-N |
| Molecular Weight | 253.360 g/mol |
| SMILES | C1(=CC=CC=C1)CNC(CCSC)C(=O)OC |