| SpectraBase Compound ID | IQXinl2g0J1 |
|---|---|
| InChI | InChI=1S/C11H15NO2S/c1-14-11(13)10(12)8-15-7-9-5-3-2-4-6-9/h2-6,10H,7-8,12H2,1H3 |
| InChIKey | DELQRANKBWOLJQ-UHFFFAOYSA-N |
| Mol Weight | 225.31 g/mol |
| Molecular Formula | C11H15NO2S |
| Exact Mass | 225.08235 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | K7D6PeYBh2i |
|---|---|
| Name | S-Benzyl-L-cysteine, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 225.082349899 u |
| Formula | C11H15NO2S |
| InChI | InChI=1S/C11H15NO2S/c1-14-11(13)10(12)8-15-7-9-5-3-2-4-6-9/h2-6,10H,7-8,12H2,1H3 |
| InChIKey | DELQRANKBWOLJQ-UHFFFAOYSA-N |
| Molecular Weight | 225.306 g/mol |
| SMILES | C1=C(C=CC=C1)CSC[C@@](C(OC)=O)(N)[H] |