| SpectraBase Compound ID | LakmLijFaZi |
|---|---|
| InChI | InChI=1S/C13H18O4S/c1-10-4-6-12(7-5-10)18(15)9-11(14)8-13(16-2)17-3/h4-7,13H,8-9H2,1-3H3 |
| InChIKey | HVYWYSXRFVTVCH-UHFFFAOYSA-N |
| Mol Weight | 270.34 g/mol |
| Molecular Formula | C13H18O4S |
| Exact Mass | 270.09258 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1EIKcyHZOC8 |
|---|---|
| Name | (rs)-3-oxo-4-(p-Tolylsulfinyl)butanal dimethyl acetal |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 270.092580230 u |
| Formula | C13H18O4S |
| InChI | InChI=1S/C13H18O4S/c1-10-4-6-12(7-5-10)18(15)9-11(14)8-13(16-2)17-3/h4-7,13H,8-9H2,1-3H3 |
| InChIKey | HVYWYSXRFVTVCH-UHFFFAOYSA-N |
| Molecular Weight | 270.343 g/mol |
| SMILES | C(S(C1=CC=C(C=C1)C)=O)C(CC(OC)OC)=O |