| SpectraBase Compound ID | F0vx3xU4MFQ |
|---|---|
| InChI | InChI=1S/C9H16O2S/c1-4-6-12-7-5-9(10)11-8(2)3/h4,8H,1,5-7H2,2-3H3 |
| InChIKey | NYGFOVCXWFFZSZ-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 | HgCjrKYkdi7 |
|---|---|
| Name | Propanoic acid, 3-(2-propenylthio)-, 1-methylethyl 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/c1-4-6-12-7-5-9(10)11-8(2)3/h4,8H,1,5-7H2,2-3H3 |
| InChIKey | NYGFOVCXWFFZSZ-UHFFFAOYSA-N |
| Molecular Weight | 188.285 g/mol |
| SMILES | C(C(OC(C)C)=O)CSCC=C |