| SpectraBase Compound ID | 2uVuiPWNCTZ |
|---|---|
| InChI | InChI=1S/C14H18O2S/c1-12-7-9-14(10-8-12)17(15,16)11-13-5-3-2-4-6-13/h5,7-10H,2-4,6,11H2,1H3 |
| InChIKey | JYZVIDDGSYBSLH-UHFFFAOYSA-N |
| Mol Weight | 250.36 g/mol |
| Molecular Formula | C14H18O2S |
| Exact Mass | 250.102751 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | J9T0QSaNAIn |
|---|---|
| Name | Cyclohexenylmethyl(4-methyl-phenyl) sulfone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 250.102750992 u |
| Formula | C14H18O2S |
| InChI | InChI=1S/C14H18O2S/c1-12-7-9-14(10-8-12)17(15,16)11-13-5-3-2-4-6-13/h5,7-10H,2-4,6,11H2,1H3 |
| InChIKey | JYZVIDDGSYBSLH-UHFFFAOYSA-N |
| Molecular Weight | 250.356 g/mol |
| SMILES | C1(S(CC2=CCCCC2)(=O)=O)=CC=C(C=C1)C |