| SpectraBase Compound ID | 40c504GXoeY |
|---|---|
| InChI | InChI=1S/C12H18O6S2/c1-19(13,14)17-9-12(10-18-20(2,15)16)8-11-6-4-3-5-7-11/h3-7,12H,8-10H2,1-2H3 |
| InChIKey | XTYAEARELANUJI-UHFFFAOYSA-N |
| Mol Weight | 322.39 g/mol |
| Molecular Formula | C12H18O6S2 |
| Exact Mass | 322.054481 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | INWLItwdlsr |
|---|---|
| Name | 2-Benzyl-1,3-bis(methanesulfonyloxy)propane |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 322.054480642 u |
| Formula | C12H18O6S2 |
| InChI | InChI=1S/C12H18O6S2/c1-19(13,14)17-9-12(10-18-20(2,15)16)8-11-6-4-3-5-7-11/h3-7,12H,8-10H2,1-2H3 |
| InChIKey | XTYAEARELANUJI-UHFFFAOYSA-N |
| Molecular Weight | 322.390 g/mol |
| SMILES | C(OS(=O)(=O)C)C(CC=1C=CC=CC1)COS(=O)(=O)C |