![[(4-Methylphenyl)sulfonyl]acetic acid, tms derivative](/api/spectrum/5ZiZlKy1q8Z/structure.png?h=300&w=458 "[(4-Methylphenyl)sulfonyl]acetic acid, tms derivative")
| SpectraBase Compound ID | 37qKErQ3qGh |
|---|---|
| InChI | InChI=1S/C12H18O4SSi/c1-10-5-7-11(8-6-10)17(14,15)9-12(13)16-18(2,3)4/h5-8H,9H2,1-4H3 |
| InChIKey | JHBCQVYTHHTCNK-UHFFFAOYSA-N |
| Mol Weight | 286.42 g/mol |
| Molecular Formula | C12H18O4SSi |
| Exact Mass | 286.069507 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5ZiZlKy1q8Z |
|---|---|
| Name | [(4-Methylphenyl)sulfonyl]acetic acid, tms derivative |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 286.069506765 u |
| Formula | C12H18O4SSi |
| InChI | InChI=1S/C12H18O4SSi/c1-10-5-7-11(8-6-10)17(14,15)9-12(13)16-18(2,3)4/h5-8H,9H2,1-4H3 |
| InChIKey | JHBCQVYTHHTCNK-UHFFFAOYSA-N |
| SMILES | C(S(=O)(=O)C1=CC=C(C=C1)C)C(=O)O[Si](C)(C)C |