| SpectraBase Compound ID | Lo7YbaRmJgq |
|---|---|
| InChI | InChI=1S/C11H14O2S/c1-3-10(2)14(12,13)9-11-7-5-4-6-8-11/h3-8H,9H2,1-2H3/b10-3+ |
| InChIKey | JEOXPAJJBWTCQG-XCVCLJGOSA-N |
| Mol Weight | 210.29 g/mol |
| Molecular Formula | C11H14O2S |
| Exact Mass | 210.071451 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 226BF98aTdJ |
|---|---|
| Name | Benzyl (E)-but-2-en-2-yl sulfone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 210.071450863 u |
| Formula | C11H14O2S |
| InChI | InChI=1S/C11H14O2S/c1-3-10(2)14(12,13)9-11-7-5-4-6-8-11/h3-8H,9H2,1-2H3/b10-3+ |
| InChIKey | JEOXPAJJBWTCQG-XCVCLJGOSA-N |
| Molecular Weight | 210.291 g/mol |
| SMILES | C\C=C/(S(CC=1C=CC=CC1)(=O)=O)C |