| SpectraBase Compound ID | IDoRb0Fs5cr |
|---|---|
| InChI | InChI=1S/C10H19NO2S/c1-4-7-14-8-9(11-5-2)10(12)13-6-3/h4,9,11H,1,5-8H2,2-3H3 |
| InChIKey | QJGHQFCERUOTRI-UHFFFAOYSA-N |
| Mol Weight | 217.33 g/mol |
| Molecular Formula | C10H19NO2S |
| Exact Mass | 217.11365 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3n6pNf1Sevt |
|---|---|
| Name | S-Allyl-L-cysteine, N-ethyl-, ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 217.113650028 u |
| Formula | C10H19NO2S |
| InChI | InChI=1S/C10H19NO2S/c1-4-7-14-8-9(11-5-2)10(12)13-6-3/h4,9,11H,1,5-8H2,2-3H3 |
| InChIKey | QJGHQFCERUOTRI-UHFFFAOYSA-N |
| Molecular Weight | 217.327 g/mol |
| SMILES | C(OCC)(C(CSCC=C)NCC)=O |