| SpectraBase Compound ID | 4AbZ2KqX2Pd |
|---|---|
| InChI | InChI=1S/C12H16O2S/c1-11(2)8-9-15(13,14)10-12-6-4-3-5-7-12/h3-8H,9-10H2,1-2H3 |
| InChIKey | ORNYZLJHPGXFEA-UHFFFAOYSA-N |
| Mol Weight | 224.32 g/mol |
| Molecular Formula | C12H16O2S |
| Exact Mass | 224.087101 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HRZz4XVE0C6 |
|---|---|
| Name | Benzyl 3-methyl-2-butenyl sulfone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 224.087100927 u |
| Formula | C12H16O2S |
| InChI | InChI=1S/C12H16O2S/c1-11(2)8-9-15(13,14)10-12-6-4-3-5-7-12/h3-8H,9-10H2,1-2H3 |
| InChIKey | ORNYZLJHPGXFEA-UHFFFAOYSA-N |
| Molecular Weight | 224.318 g/mol |
| SMILES | C(S(=O)(=O)Cc1ccccc1)C=C(C)C |