| SpectraBase Compound ID | EEKdEJrzFHV |
|---|---|
| InChI | InChI=1S/C14H18O4S/c1-10-2-5-13(6-3-10)19(15,16)17-9-11-8-12-4-7-14(11)18-12/h2-3,5-6,11-12,14H,4,7-9H2,1H3/t11-,12-,14+/m0/s1 |
| InChIKey | PNWQDGADYLNCMH-SGMGOOAPSA-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 | KTUcBEidnHi |
|---|---|
| Name | nan |
| 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/c1-10-2-5-13(6-3-10)19(15,16)17-9-11-8-12-4-7-14(11)18-12/h2-3,5-6,11-12,14H,4,7-9H2,1H3/t11-,12-,14+/m0/s1 |
| InChIKey | PNWQDGADYLNCMH-SGMGOOAPSA-N |
| SMILES | [C@]12(CC[C@]([C@@](C2)(COS(=O)(=O)c2ccc(C)cc2)[H])(O1)[H])[H] |