| SpectraBase Compound ID | 5qbJGR4PP46 |
|---|---|
| InChI | InChI=1S/C9H16O2S/c1-3-6-11-9(10)5-8-12-7-4-2/h4H,2-3,5-8H2,1H3 |
| InChIKey | ORCNDHSVOPLKDL-UHFFFAOYSA-N |
| Mol Weight | 188.28 g/mol |
| Molecular Formula | C9H16O2S |
| Exact Mass | 188.087101 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FtBaRUXCMzB |
|---|---|
| Name | Propionic acid, 3-(allylthio)-, propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 188.087100927 u |
| Formula | C9H16O2S |
| InChI | InChI=1S/C9H16O2S/c1-3-6-11-9(10)5-8-12-7-4-2/h4H,2-3,5-8H2,1H3 |
| InChIKey | ORCNDHSVOPLKDL-UHFFFAOYSA-N |
| Molecular Weight | 188.285 g/mol |
| SMILES | C(C(OCCC)=O)CSCC=C |