| SpectraBase Compound ID | 2AhiRfPpNsI |
|---|---|
| InChI | InChI=1S/C13H18O2S/c1-11-5-7-12(8-6-11)16(14,15)10-9-13(2,3)4/h5-10H,1-4H3/b10-9+ |
| InChIKey | MVOYGNGXJPBLPC-MDZDMXLPSA-N |
| Mol Weight | 238.34 g/mol |
| Molecular Formula | C13H18O2S |
| Exact Mass | 238.102751 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EdkHGlsdg5W |
|---|---|
| Name | Trans-3,3-dimethyl-1-butenyl p-tolyl sulfone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 238.102750992 u |
| Formula | C13H18O2S |
| InChI | InChI=1S/C13H18O2S/c1-11-5-7-12(8-6-11)16(14,15)10-9-13(2,3)4/h5-10H,1-4H3/b10-9+ |
| InChIKey | MVOYGNGXJPBLPC-MDZDMXLPSA-N |
| Molecular Weight | 238.345 g/mol |
| SMILES | C=1C=C(C)C=CC1S(=O)(=O)\C=C\C(C)(C)C |