| SpectraBase Compound ID | 3xPK7gJ9FzX |
|---|---|
| InChI | InChI=1S/C16H18O2S/c1-11-6-5-7-15(10-11)19(17,18)16-13(3)8-12(2)9-14(16)4/h5-10H,1-4H3 |
| InChIKey | XXZULIYPYBJODM-UHFFFAOYSA-N |
| Mol Weight | 274.38 g/mol |
| Molecular Formula | C16H18O2S |
| Exact Mass | 274.102751 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KYtIwjru5vb |
|---|---|
| Name | 1,3,5-Trimethyl-2-(m-tolylsulfonyl)benzene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 274.102750992 u |
| Formula | C16H18O2S |
| InChI | InChI=1S/C16H18O2S/c1-11-6-5-7-15(10-11)19(17,18)16-13(3)8-12(2)9-14(16)4/h5-10H,1-4H3 |
| InChIKey | XXZULIYPYBJODM-UHFFFAOYSA-N |
| SMILES | C1(S(C=2C=C(C)C=CC2)(=O)=O)=C(C=C(C=C1C)C)C |