| SpectraBase Compound ID | 1LDIsrJ3LLM |
|---|---|
| InChI | InChI=1S/C19H32O3Si/c1-14(17(20)22-23(7,8)18(2,3)4)16-11-9-15(10-12-16)13-19(5,6)21/h9-12,14,21H,13H2,1-8H3 |
| InChIKey | BUFYZRHMENUTRJ-UHFFFAOYSA-N |
| Mol Weight | 336.5 g/mol |
| Molecular Formula | C19H32O3Si |
| Exact Mass | 336.212071 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FstWflfF7Gs |
|---|---|
| Name | 2-Hydroxyibuprofen, tert.-butyldimethylsilyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 336.212071422 u |
| Formula | C19H32O3Si |
| InChI | InChI=1S/C19H32O3Si/c1-14(17(20)22-23(7,8)18(2,3)4)16-11-9-15(10-12-16)13-19(5,6)21/h9-12,14,21H,13H2,1-8H3 |
| InChIKey | BUFYZRHMENUTRJ-UHFFFAOYSA-N |
| Molecular Weight | 336.547 g/mol |
| SMILES | C1(=CC=C(C=C1)CC(O)(C)C)C(C(O[Si](C)(C)C(C)(C)C)=O)C |