| SpectraBase Compound ID | Dw1a9OyPXHA |
|---|---|
| InChI | InChI=1S/C11H21NO2S/c1-4-6-15-8-10(12)11(13)14-7-9(3)5-2/h4,9-10H,1,5-8,12H2,2-3H3 |
| InChIKey | HMTHTVUQBOSJPX-UHFFFAOYSA-N |
| Mol Weight | 231.35 g/mol |
| Molecular Formula | C11H21NO2S |
| Exact Mass | 231.1293 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 77dhJQCSluU |
|---|---|
| Name | S-Allyl-L-cysteine, 2-methylbutyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 231.129300092 u |
| Formula | C11H21NO2S |
| InChI | InChI=1S/C11H21NO2S/c1-4-6-15-8-10(12)11(13)14-7-9(3)5-2/h4,9-10H,1,5-8,12H2,2-3H3 |
| InChIKey | HMTHTVUQBOSJPX-UHFFFAOYSA-N |
| Molecular Weight | 231.354 g/mol |
| SMILES | C(OCC(CC)C)(C(CSCC=C)N)=O |