| SpectraBase Compound ID | KH5p9gmR7LJ |
|---|---|
| InChI | InChI=1S/C12H16O3S/c1-11(7-9-13)8-10-16(14,15)12-5-3-2-4-6-12/h2-6,8,13H,7,9-10H2,1H3/b11-8+ |
| InChIKey | VOPAMIRVDFQHHP-DHZHZOJOSA-N |
| Mol Weight | 240.32 g/mol |
| Molecular Formula | C12H16O3S |
| Exact Mass | 240.082016 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7dSg1e5UNW4 |
|---|---|
| Name | (E)-3-Methyl-5-hydroxy-2-pentenyl phenyl sulfone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 240.082015546 u |
| Formula | C12H16O3S |
| InChI | InChI=1S/C12H16O3S/c1-11(7-9-13)8-10-16(14,15)12-5-3-2-4-6-12/h2-6,8,13H,7,9-10H2,1H3/b11-8+ |
| InChIKey | VOPAMIRVDFQHHP-DHZHZOJOSA-N |
| Molecular Weight | 240.317 g/mol |
| SMILES | C=1(S(=O)(=O)C\C=C\(CCO)C)C=CC=CC1 |