![(+)-methyl [(S)R]-5-oxo-6-(p-tolylsulfinyl)hexanoate](/api/spectrum/EcP432ZDkk2/structure.png?h=300&w=458 "(+)-methyl [(S)R]-5-oxo-6-(p-tolylsulfinyl)hexanoate")
| SpectraBase Compound ID | LWa8uWwXUXb |
|---|---|
| InChI | InChI=1S/C14H18O4S/c1-11-6-8-13(9-7-11)19(17)10-12(15)4-3-5-14(16)18-2/h6-9H,3-5,10H2,1-2H3 |
| InChIKey | TZXUKRPXQCEUCJ-UHFFFAOYSA-N |
| Mol Weight | 282.35 g/mol |
| Molecular Formula | C14H18O4S |
| Exact Mass | 282.09258 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EcP432ZDkk2 |
|---|---|
| Name | (+)-methyl [(S)R]-5-oxo-6-(p-tolylsulfinyl)hexanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 282.092580230 u |
| Formula | C14H18O4S |
| InChI | InChI=1S/C14H18O4S/c1-11-6-8-13(9-7-11)19(17)10-12(15)4-3-5-14(16)18-2/h6-9H,3-5,10H2,1-2H3 |
| InChIKey | TZXUKRPXQCEUCJ-UHFFFAOYSA-N |
| SMILES | C([S@@](C1=CC=C(C=C1)C)=O)C(=O)CCCC(=O)OC |