| SpectraBase Compound ID | EqnOrpa0Lum |
|---|---|
| InChI | InChI=1S/C11H17O6PS/c1-4-15-18(12,16-5-2)17-10-6-8-11(9-7-10)19(3,13)14/h6-9H,4-5H2,1-3H3 |
| InChIKey | KUBUBYBFFRVFHD-UHFFFAOYSA-N |
| Mol Weight | 308.28 g/mol |
| Molecular Formula | C11H17O6PS |
| Exact Mass | 308.048346 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LBFmDEiDIQT |
|---|---|
| Name | Phosphoric acid, diethyl p-(methylsulfonyl)phenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 308.048346433 u |
| Formula | C11H17O6PS |
| InChI | InChI=1S/C11H17O6PS/c1-4-15-18(12,16-5-2)17-10-6-8-11(9-7-10)19(3,13)14/h6-9H,4-5H2,1-3H3 |
| InChIKey | KUBUBYBFFRVFHD-UHFFFAOYSA-N |
| Molecular Weight | 308.285 g/mol |
| SMILES | C1=C(C=CC(=C1)S(=O)(=O)C)OP(=O)(OCC)OCC |