![1-[(4-Methylbenzene)sulfonyl]-2-phenylpropan-2-ol](/api/spectrum/IR4QnGDGurt/structure.png?h=300&w=458 "1-[(4-Methylbenzene)sulfonyl]-2-phenylpropan-2-ol")
| SpectraBase Compound ID | 99DOW64CBXQ |
|---|---|
| InChI | InChI=1S/C16H18O3S/c1-13-8-10-15(11-9-13)20(18,19)12-16(2,17)14-6-4-3-5-7-14/h3-11,17H,12H2,1-2H3 |
| InChIKey | UFXWUSAAGJDPOF-UHFFFAOYSA-N |
| Mol Weight | 290.38 g/mol |
| Molecular Formula | C16H18O3S |
| Exact Mass | 290.097666 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IR4QnGDGurt |
|---|---|
| Name | 1-[(4-Methylbenzene)sulfonyl]-2-phenylpropan-2-ol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 290.097665611 u |
| Formula | C16H18O3S |
| InChI | InChI=1S/C16H18O3S/c1-13-8-10-15(11-9-13)20(18,19)12-16(2,17)14-6-4-3-5-7-14/h3-11,17H,12H2,1-2H3 |
| InChIKey | UFXWUSAAGJDPOF-UHFFFAOYSA-N |
| SMILES | CC1=CC=C(S(CC(C2=CC=CC=C2)(O)C)(=O)=O)C=C1 |