![Trimethylsilyl 2-(1,1-dioxido-3-oxobenzo[D]isothiazol-2(3H)-yl)acetate](/api/spectrum/DcMwzb2WtmP/structure.png?h=300&w=458 "Trimethylsilyl 2-(1,1-dioxido-3-oxobenzo[D]isothiazol-2(3H)-yl)acetate")
| SpectraBase Compound ID | KYluJ4ql1xp |
|---|---|
| InChI | InChI=1S/C12H15NO5SSi/c1-20(2,3)18-11(14)8-13-12(15)9-6-4-5-7-10(9)19(13,16)17/h4-7H,8H2,1-3H3 |
| InChIKey | VOTLBUKBMDZNEJ-UHFFFAOYSA-N |
| Mol Weight | 313.4 g/mol |
| Molecular Formula | C12H15NO5SSi |
| Exact Mass | 313.04402 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DcMwzb2WtmP |
|---|---|
| Name | Trimethylsilyl 2-(1,1-dioxido-3-oxobenzo[D]isothiazol-2(3H)-yl)acetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 313.044020291 u |
| Formula | C12H15NO5SSi |
| InChI | InChI=1S/C12H15NO5SSi/c1-20(2,3)18-11(14)8-13-12(15)9-6-4-5-7-10(9)19(13,16)17/h4-7H,8H2,1-3H3 |
| InChIKey | VOTLBUKBMDZNEJ-UHFFFAOYSA-N |
| Molecular Weight | 313.399 g/mol |
| SMILES | C1(N(S(=O)(=O)C=2C1=CC=CC2)CC(=O)O[Si](C)(C)C)=O |