| SpectraBase Compound ID | AwECkZR8f2D |
|---|---|
| InChI | InChI=1S/C10H18O2S/c1-3-5-7-12-10(11)6-9-13-8-4-2/h4H,2-3,5-9H2,1H3 |
| InChIKey | REGXYOHGGGSCFK-UHFFFAOYSA-N |
| Mol Weight | 202.31 g/mol |
| Molecular Formula | C10H18O2S |
| Exact Mass | 202.102751 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3PB0lwJ7fAO |
|---|---|
| Name | Propionic acid, 3-(allylthio)-, butyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 202.102750992 u |
| Formula | C10H18O2S |
| InChI | InChI=1S/C10H18O2S/c1-3-5-7-12-10(11)6-9-13-8-4-2/h4H,2-3,5-9H2,1H3 |
| InChIKey | REGXYOHGGGSCFK-UHFFFAOYSA-N |
| Molecular Weight | 202.312 g/mol |
| SMILES | C(C(OCCCC)=O)CSCC=C |